General Information of the Compound
| Compound ID |
CP0239308
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| Compound Name |
Cenicriviroc
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| Synonyms |
1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl]phenyl]-, (5E)-
15C116UA4Y
497223-25-3
AKOS027250788
AS-35184
BDBM50422828
CHEMBL2110727
CS-6148
Cenicriviroc
Cenicriviroc (USAN/INN)
Cenicriviroc mesylate
D09878
DB11758
EX-A1608
HY-14882
MolPort-044-649-359
MolPort-044-723-655
SB16976
SCHEMBL3157748
SCHEMBL3157768
TAK-652
TAK652
TBR-652
TBR652
UNII-15C116UA4Y
UNII-15C116UA4Y component PNDKCRDVVKJPKG-WHERJAGFSA-N
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| Structure |
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| Formula |
C41H52N4O4S
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| Molecular Weight |
696.958
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| Canonical SMILES |
CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC
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| InChI |
InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
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| InChIKey |
PNDKCRDVVKJPKG-WHERJAGFSA-N
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| CAS |
497223-25-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound
Drug 1 ( Cenicriviroc )
| Drug Name | Cenicriviroc | ||
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| Company | Tobira Therapeutics | ||
| Indication | |||
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