General Information of the Compound
| Compound ID |
CP0409130
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{3-[(2-methoxy-ethylcarbamoyl)-methyl]-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 |
C38H44Cl4N6O5
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| Molecular Weight |
806.619
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)NCCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1
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| InChIKey |
AXBSORLKLUGMEI-OUADDPIDSA-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