General Information of the Compound
| Compound ID |
CP0440758
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C32H33Cl4N5O3
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| Molecular Weight |
677.46
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H33Cl4N5O3/c1-39(31(42)21-15-22(33)18-23(34)16-21)19-29(38-44-2)25(20-7-8-26(35)27(36)17-20)11-14-40-12-9-24(10-13-40)41-30-6-4-3-5-28(30)37-32(41)43/h3-8,15-18,24-25H,9-14,19H2,1-2H3,(H,37,43)/b38-29+/t25-/m1/s1
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| InChIKey |
ZZFJEAWXKJAJIS-AASALYGKSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor