General Information of the Compound
| Compound ID |
CP0867013
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| Compound Name |
endo-1-(8-{2-[4-(3,4-Dichlorophenyl)-1-(phenylcarbonyl)-4-piperidinyl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole
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| Formula |
C35H38Cl2N4O
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| Molecular Weight |
601.622
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-11-14-30(36)31(37)21-26)15-18-39(19-16-35)34(42)25-7-3-2-4-8-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3/t27-,28+,29+
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| InChIKey |
DOGFRBKPJABURT-WLNZHLEZSA-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