General Information of the Compound
| Compound ID |
CP0439288
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-3-pyridin-2-ylmethyl-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-pentyl}-N-ethyl-benzamide
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| Structure |
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| Formula |
C39H40Cl4N6O3
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| Molecular Weight |
782.6
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(Cc2ccccn2)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C39H40Cl4N6O3/c1-3-47(38(50)27-20-28(40)23-29(41)21-27)25-35(45-52-2)32(26-11-12-33(42)34(43)22-26)15-19-46-17-13-31(14-18-46)49-37-10-5-4-9-36(37)48(39(49)51)24-30-8-6-7-16-44-30/h4-12,16,20-23,31-32H,3,13-15,17-19,24-25H2,1-2H3/b45-35+/t32-/m1/s1
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| InChIKey |
RQVBYRWUISROIZ-FEWZWGNISA-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