General Information of the Compound
| Compound ID |
CP0498152
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| Compound Name |
3,5-Dichloro-N-[2-[(Z)-cyanomethoxyimino]-3-(3,4-dichloro-phenyl)-5-(2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-methyl-benzamide
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| Structure |
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| Formula |
C31H35Cl4N5O3
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| Molecular Weight |
667.465
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| Canonical SMILES |
CN(C\C(=N/OCC#N)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H35Cl4N5O3/c1-38(31(42)22-16-23(32)19-24(33)17-22)20-29(37-43-15-10-36)26(21-5-6-27(34)28(35)18-21)9-14-39-12-7-25(8-13-39)40-11-3-2-4-30(40)41/h5-6,16-19,25-26H,2-4,7-9,11-15,20H2,1H3/b37-29+
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| InChIKey |
XRDBPVZKKASWBW-SMTCOIIISA-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