General Information of the Compound
| Compound ID |
CP0404001
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| Compound Name |
3,5-Dichloro-N-{(R)-5-[4-(3-cyanomethyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide
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| Structure |
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| Formula |
C35H36Cl4N6O3
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| Molecular Weight |
730.524
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C35H36Cl4N6O3/c1-3-43(34(46)24-18-25(36)21-26(37)19-24)22-31(41-48-2)28(23-8-9-29(38)30(39)20-23)12-16-42-14-10-27(11-15-42)45-33-7-5-4-6-32(33)44(17-13-40)35(45)47/h4-9,18-21,27-28H,3,10-12,14-17,22H2,1-2H3/b41-31+/t28-/m1/s1
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| InChIKey |
KKNABYYXFGGHEP-VJKLZRICSA-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