General Information of the Compound
| Compound ID |
CP0869824
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C28H29Cl2N3O
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| Molecular Weight |
494.466
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| Canonical SMILES |
CC(=O)NC[C@@]1(c2cccnc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H29Cl2N3O/c1-19(34)32-18-28(20-7-6-14-31-17-20)15-21-12-13-22(16-28)33(21)27(23-8-2-4-10-25(23)29)24-9-3-5-11-26(24)30/h2-11,14,17,21-22,27H,12-13,15-16,18H2,1H3,(H,32,34)/t21-,22+,28-
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| InChIKey |
NIQGOPMGIHRHHH-PFLFQYNRSA-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