General Information of the Compound
| Compound ID |
CP0418975
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| Compound Name |
(R)-2-((3S,4S)-3-((4-(1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C31H40N4O2
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| Molecular Weight |
500.687
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc23)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C31H40N4O2/c36-31(37)30(24-11-5-2-6-12-24)34-20-25(27(21-34)23-9-3-1-4-10-23)19-33-17-15-26(16-18-33)35-22-32-28-13-7-8-14-29(28)35/h1,3-4,7-10,13-14,22,24-27,30H,2,5-6,11-12,15-21H2,(H,36,37)/t25-,27+,30+/m0/s1
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| InChIKey |
QRUOSJZEFNEZHQ-UJCCJREASA-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