General Information of the Compound
| Compound ID |
CP0393934
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| Compound Name |
2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-(2-fluoroethyl)amino]-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 |
C35H36Cl4FN5O5
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| Molecular Weight |
767.513
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| Canonical SMILES |
CO\N=C(/CN(CCF)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/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
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| InChIKey |
QQEUFCBFNCEBTH-UVIULGBXSA-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