General Information of the Compound
| Compound ID |
CP0491940
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| Compound Name |
2-(5-chlorothiophen-2-yl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid
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| Formula |
C34H39ClN4O2S
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| Molecular Weight |
603.232
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc(Cl)s1)c1ccccc1
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| InChI |
InChI=1S/C34H39ClN4O2S/c1-23-36-28-9-5-6-10-29(28)39(23)27-21-25-11-12-26(22-27)38(25)20-17-34(24-7-3-2-4-8-24)15-18-37(19-16-34)32(33(40)41)30-13-14-31(35)42-30/h2-10,13-14,25-27,32H,11-12,15-22H2,1H3,(H,40,41)/t25-,26+,27+,32?
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| InChIKey |
QBGFOGSWODCRIX-ROYSLGERSA-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