General Information of the Compound
| Compound ID |
CP0485448
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| Compound Name |
(R)-[(3S,4S)-3-(4-Benzoimidazol-1-ylmethyl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid
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| Structure |
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| Formula |
C32H42N4O2
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| Molecular Weight |
514.714
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Cn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C32H42N4O2/c37-32(38)31(26-11-5-2-6-12-26)35-21-27(28(22-35)25-9-3-1-4-10-25)20-34-17-15-24(16-18-34)19-36-23-33-29-13-7-8-14-30(29)36/h1,3-4,7-10,13-14,23-24,26-28,31H,2,5-6,11-12,15-22H2,(H,37,38)/t27-,28+,31+/m0/s1
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| InChIKey |
SFODKQIDIFSVNS-WTNLLYQRSA-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