General Information of the Compound
| Compound ID |
CP0159839
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| Compound Name |
2-[3,4-dichloro-N-(2-methoxyethyl)anilino]-1-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C27H35Cl2N3O2
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| Molecular Weight |
504.502
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| Canonical SMILES |
COCCN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H35Cl2N3O2/c1-34-17-16-31(22-11-12-24(28)25(29)18-22)20-27(33)32-15-7-10-23(21-8-3-2-4-9-21)26(32)19-30-13-5-6-14-30/h2-4,8-9,11-12,18,23,26H,5-7,10,13-17,19-20H2,1H3
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| InChIKey |
ZGGCVDLJPIVYGN-UHFFFAOYSA-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