General Information of the Compound
| Compound ID |
CP0844983
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(3-methylpyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C29H31Cl2N3O
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| Molecular Weight |
508.493
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| Canonical SMILES |
CC(=O)NC[C@@]1(c2ncccc2C)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C29H31Cl2N3O/c1-19-8-7-15-32-28(19)29(18-33-20(2)35)16-21-13-14-22(17-29)34(21)27(23-9-3-5-11-25(23)30)24-10-4-6-12-26(24)31/h3-12,15,21-22,27H,13-14,16-18H2,1-2H3,(H,33,35)/t21-,22+,29-
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| InChIKey |
TZBMHGJJIOTYPK-ISRMLTCMSA-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