General Information of the Compound
| Compound ID |
CP0386627
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| Compound Name |
1-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C29H29N3O5
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| Molecular Weight |
499.567
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12
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| InChI |
InChI=1S/C29H29N3O5/c1-36-23-14-9-15-24(37-2)26(23)22-18-25(30-27(33)29(28(34)35)16-6-3-7-17-29)31-32(22)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,34,35)(H,30,31,33)
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| InChIKey |
ZZYLCNLEKXOHSR-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