General Information of the Compound
| Compound ID |
CP0405287
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| Compound Name |
2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-methylamino]-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 |
C34H35Cl4N5O5
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| Molecular Weight |
735.496
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/s1
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| InChIKey |
FRDDXKUSVLZWRL-BERJDBMDSA-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