General Information of the Compound
| Compound ID |
CP0394390
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(2-methoxy-ethyl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-piperidin-1-yl}-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide
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| Structure |
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| Formula |
C36H41Cl4N5O4
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| Molecular Weight |
749.567
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1
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| InChIKey |
NFVAMSHCYQJREM-PRESXLHZSA-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