General Information of the Compound
| Compound ID |
CP0374889
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| Compound Name |
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-2-hydroxy-2-methyl-propoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
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| Structure |
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| Formula |
C33H42Cl4N4O4
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| Molecular Weight |
700.535
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| Canonical SMILES |
CN(C\C(=N/OCC(C)(C)O)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H42Cl4N4O4/c1-33(2,44)21-45-38-30(20-39(3)32(43)23-16-24(34)19-25(35)17-23)27(22-7-8-28(36)29(37)18-22)11-15-40-13-9-26(10-14-40)41-12-5-4-6-31(41)42/h7-8,16-19,26-27,44H,4-6,9-15,20-21H2,1-3H3/b38-30+
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| InChIKey |
NVTYJPSTYQULRG-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