General Information of the Compound
| Compound ID |
CP0388569
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| Compound Name |
1-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C28H27ClN4O5
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| Molecular Weight |
535
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12
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| InChI |
InChI=1S/C28H27ClN4O5/c1-37-22-7-6-8-23(38-2)25(22)21-16-24(31-26(34)28(27(35)36)12-4-3-5-13-28)32-33(21)20-11-14-30-19-15-17(29)9-10-18(19)20/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,35,36)(H,31,32,34)
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| InChIKey |
WYEXHFGVCLTCPV-UHFFFAOYSA-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: PT02142, Neurotensin receptor type 1
Protein ID: PT05740, Neurotensin receptor type 2