General Information of the Compound
| Compound ID |
CP0462147
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| Compound Name |
N-[3-[4-(N-benzyl-4-methoxyanilino)piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C29H34Cl2N4O2
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| Molecular Weight |
541.523
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C29H34Cl2N4O2/c1-21(12-15-33-29(36)28-26(30)18-32-19-27(28)31)34-16-13-24(14-17-34)35(20-22-6-4-3-5-7-22)23-8-10-25(37-2)11-9-23/h3-11,18-19,21,24H,12-17,20H2,1-2H3,(H,33,36)
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| InChIKey |
VKIFWYHMRZAMEW-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