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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H23Cl2F2N9O2
Molecular Weight 626.444
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILVEXIAN

SMILES

C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C3=CC(Cl)=CC=C3N4C=C(Cl)N=N4)C5=CC(=CC=N5)C6=C(NC1=O)C=NN6C(F)F

InChI

InChIKey=FSWFYCYPTDLKON-CMJOXMDJSA-N
InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H23Cl2F2N9O2
Molecular Weight 626.444
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:50:13 GMT 2023
Edited
by admin
on Sat Dec 16 18:50:13 GMT 2023
Record UNII
0W79NDQ608
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILVEXIAN
USAN   INN  
Official Name English
BMS-986177
Code English
MILVEXIAN [USAN]
Common Name English
11,15-METHENO-15H-PYRAZOLO(4,3-B)(1,7)DIAZACYCLOTETRADECIN-5(6H)-ONE, 10-(4-(5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL)-6-OXO-1(6H)-PYRIMIDINYL)-1-(DIFLUOROMETHYL)-1,4,7,8,9,10-HEXAHYDRO-6-METHYL-, (6R,10S)-
Systematic Name English
milvexian [INN]
Common Name English
JNJ-70033093
Code English
Milvexian [WHO-DD]
Common Name English
(5R,9S)-9-(4-(5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxopyrimidin-1(6H)-yl)-21-(difluoromethyl)-5-methyl-21H-3-aza-1(4,2)-pyridina-2(5,4)-pyrazolacyclonaphan-4-one
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Milvexian
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
NCI_THESAURUS
C175138
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
CAS
1802425-99-5
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
PUBCHEM
118277544
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
USAN
GH-161
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
SMS_ID
300000027511
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
FDA UNII
0W79NDQ608
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
INN
11401
Created by admin on Sat Dec 16 18:50:14 GMT 2023 , Edited by admin on Sat Dec 16 18:50:14 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY