General Information of the Compound
| Compound ID |
CP0095480
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| Compound Name |
3-[2-{[(1-Naphthylmethyl)amino]carbonyl}-4-(1Hpyrazol-1-ylmethyl)phenyl]propanoic aci
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| Structure |
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
OC(=O)CCc1ccc(Cn2cccn2)cc1C(=O)NCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H23N3O3/c29-24(30)11-10-21-9-7-19(17-28-13-3-12-27-28)15-23(21)25(31)26-16-18-6-8-20-4-1-2-5-22(20)14-18/h1-9,12-15H,10-11,16-17H2,(H,26,31)(H,29,30)
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| InChIKey |
PHRWNJZNMCODSA-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