General Information of the Compound
| Compound ID |
CP0492389
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| Compound Name |
3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-2-[(Z)-3-pyrazol-1-yl-propoxyimino]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C35H42Cl4N6O3
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| Molecular Weight |
736.572
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| Canonical SMILES |
CN(C\C(=N/OCCCn1cccn1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C35H42Cl4N6O3/c1-42(35(47)26-20-27(36)23-28(37)21-26)24-33(41-48-19-5-14-44-13-4-12-40-44)30(25-7-8-31(38)32(39)22-25)11-18-43-16-9-29(10-17-43)45-15-3-2-6-34(45)46/h4,7-8,12-13,20-23,29-30H,2-3,5-6,9-11,14-19,24H2,1H3/b41-33+
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| InChIKey |
IVKBBTLEZLRUHI-ZSJGZSGZSA-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