General Information of the Compound
| Compound ID |
CP0530332
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| Compound Name |
(R)-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-4-methylpentanoic acid
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| Structure |
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| Formula |
C31H40F4N2O2
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| Molecular Weight |
548.665
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| Canonical SMILES |
CC(C)C[C@@H](N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C31H40F4N2O2/c1-21(2)16-29(30(38)39)37-19-24(28(20-37)23-4-3-5-27(33)17-23)18-36-14-11-22(12-15-36)10-13-31(34,35)25-6-8-26(32)9-7-25/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,38,39)/t24-,28+,29+/m0/s1
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| InChIKey |
FVTAFOSCFIQSHW-TUMTZTIRSA-N
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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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound