General Information of the Compound
| Compound ID |
CP0386290
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| Compound Name |
(E)-N-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)(morpholino)methylene)cyanamide
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| Formula |
C34H43N7O
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| Molecular Weight |
565.766
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=N/C#N)\N1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C34H43N7O/c1-26-37-31-9-5-6-10-32(31)41(26)30-23-28-11-12-29(24-30)40(28)18-15-34(27-7-3-2-4-8-27)13-16-38(17-14-34)33(36-25-35)39-19-21-42-22-20-39/h2-10,28-30H,11-24H2,1H3/b36-33+/t28-,29+,30+
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| InChIKey |
NQXSIRJUWDUUDB-JRLSCVPWSA-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