General Information of the Compound
| Compound ID |
CP0940316
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| Compound Name |
exo-4-(3,4-Dichloro-phenyl)-4-{3-[3-(2-methyl-benzoimidazol-1-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propyl}-piperidine-1-carboxylic acid tert-butyl ester
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| Formula |
C34H44Cl2N4O2
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| Molecular Weight |
611.658
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C34H44Cl2N4O2/c1-23-37-30-8-5-6-9-31(30)40(23)27-21-25-11-12-26(22-27)39(25)17-7-14-34(24-10-13-28(35)29(36)20-24)15-18-38(19-16-34)32(41)42-33(2,3)4/h5-6,8-10,13,20,25-27H,7,11-12,14-19,21-22H2,1-4H3/t25-,26+,27-
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| InChIKey |
FIRZNJXYNWMNLA-LGKQTMLJSA-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