General Information of the Compound
| Compound ID |
CP0374251
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| Compound Name |
2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-(1-methyl-1H-pyrazol-4-yl)cyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
Cn1cc(cn1)C1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O
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| InChI |
InChI=1S/C24H25N3O4/c1-27-14-19(13-25-27)18-6-8-22(21(12-18)24(30)31)26-23(29)9-3-15-2-4-17-11-20(28)7-5-16(17)10-15/h2,4-5,7,10-11,13-14,18,28H,3,6,8-9,12H2,1H3,(H,26,29)(H,30,31)
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| InChIKey |
KINPGVXSEYCUPV-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