General Information of the Compound
| Compound ID |
CP0464438
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| Compound Name |
N-[(2Z)-2-(3-aminopropoxyimino)-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-3,5-dichloro-N-methylbenzamide
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| Structure |
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| Formula |
C32H41Cl4N5O3
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| Molecular Weight |
685.524
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| Canonical SMILES |
CN(C\C(=N/OCCCN)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C32H41Cl4N5O3/c1-39(32(43)23-17-24(33)20-25(34)18-23)21-30(38-44-16-4-11-37)27(22-6-7-28(35)29(36)19-22)10-15-40-13-8-26(9-14-40)41-12-3-2-5-31(41)42/h6-7,17-20,26-27H,2-5,8-16,21,37H2,1H3/b38-30+
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| InChIKey |
SGBDUEZXJHDZIY-BIXQXLNPSA-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
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor