General Information of the Compound
| Compound ID |
CP0402356
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| Compound Name |
(3,4-dichlorophenyl)-[4-[[[6-(dimethylamino)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C21H26Cl2N4O
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| Molecular Weight |
421.372
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| Canonical SMILES |
CN(C)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
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| InChI |
InChI=1S/C21H26Cl2N4O/c1-26(2)20-5-3-4-17(25-20)14-24-13-15-8-10-27(11-9-15)21(28)16-6-7-18(22)19(23)12-16/h3-7,12,15,24H,8-11,13-14H2,1-2H3
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| InChIKey |
SCPDBFOEQCPCKE-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