General Information of the Compound
| Compound ID |
CP0410762
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| Compound Name |
2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-ethylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C35H37Cl4N5O5
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| Molecular Weight |
749.523
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| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1
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| InChIKey |
DMPBNZKYHOVYRU-HSMZZXILSA-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