General Information of the Compound
| Compound ID |
CP0463516
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| Compound Name |
N-[3-[4-(N-benzyl-4-bromoanilino)piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C28H31BrCl2N4O
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| Molecular Weight |
590.393
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36)
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| InChIKey |
NKCYWBUHTRUFPD-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