General Information of the Compound
| Compound ID |
CP0420983
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| Compound Name |
3-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C26H24N4O3
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| Molecular Weight |
440.503
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| Canonical SMILES |
Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24N4O3/c1-29-24-10-9-20(14-23(24)27-28-29)22(15-25(31)32)19-8-7-17-11-12-30(16-21(17)13-19)26(33)18-5-3-2-4-6-18/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,31,32)
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| InChIKey |
HQMUAYQNXJIIGH-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