General Information of the Compound
| Compound ID |
CP0480659
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| Compound Name |
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-(2-methoxy-ethylcarbamoyl)-methoxyimino]-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
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| Structure |
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| Formula |
C34H43Cl4N5O5
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| Molecular Weight |
743.56
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| Canonical SMILES |
COCCNC(=O)CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H43Cl4N5O5/c1-41(34(46)24-17-25(35)20-26(36)18-24)21-31(40-48-22-32(44)39-11-16-47-2)28(23-6-7-29(37)30(38)19-23)10-15-42-13-8-27(9-14-42)43-12-4-3-5-33(43)45/h6-7,17-20,27-28H,3-5,8-16,21-22H2,1-2H3,(H,39,44)/b40-31+
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| InChIKey |
UFEQANMHBHQAGY-MNIDXLESSA-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