General Information of the Compound
| Compound ID |
CP0520844
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| Compound Name |
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-2-hydroxy-ethoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
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| Structure |
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| Formula |
C31H38Cl4N4O4
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| Molecular Weight |
672.481
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| Canonical SMILES |
CN(C\C(=N/OCCO)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H38Cl4N4O4/c1-37(31(42)22-16-23(32)19-24(33)17-22)20-29(36-43-15-14-40)26(21-5-6-27(34)28(35)18-21)9-13-38-11-7-25(8-12-38)39-10-3-2-4-30(39)41/h5-6,16-19,25-26,40H,2-4,7-15,20H2,1H3/b36-29+
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| InChIKey |
IHIXHRXOBUMHTB-ZONNCAFXSA-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