General Information of the Compound
| Compound ID |
CP0405964
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| Compound Name |
(3,4-dichlorophenyl)-[4-[[[6-(furan-2-yl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H23Cl2N3O2
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| Molecular Weight |
444.362
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C23H23Cl2N3O2/c24-19-7-6-17(13-20(19)25)23(29)28-10-8-16(9-11-28)14-26-15-18-3-1-4-21(27-18)22-5-2-12-30-22/h1-7,12-13,16,26H,8-11,14-15H2
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| InChIKey |
KSZMCVDTZBUUIA-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