General Information of the Compound
| Compound ID |
CP0922733
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(5-(piperidin-1-yl)pyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C33H38Cl2N4O
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| Molecular Weight |
577.6
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| Canonical SMILES |
CC(=O)NC[C@@]1(c2ccc(N3CCCCC3)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C33H38Cl2N4O/c1-23(40)37-22-33(31-16-15-26(21-36-31)38-17-7-2-8-18-38)19-24-13-14-25(20-33)39(24)32(27-9-3-5-11-29(27)34)28-10-4-6-12-30(28)35/h3-6,9-12,15-16,21,24-25,32H,2,7-8,13-14,17-20,22H2,1H3,(H,37,40)/t24-,25+,33-
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| InChIKey |
DNTGCBURADJXRN-NJDHVWSQSA-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