General Information of the Compound
| Compound ID |
CP0402253
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| Compound Name |
2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-phenylcyclohex-1-enecarboxylic acid
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| Structure |
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| Formula |
C26H25NO4
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| Molecular Weight |
415.489
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| Canonical SMILES |
OC(=O)C1=C(CCC(C1)c1ccccc1)NC(=O)CCc1ccc2cc(O)ccc2c1
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| InChI |
InChI=1S/C26H25NO4/c28-22-11-9-19-14-17(6-8-20(19)15-22)7-13-25(29)27-24-12-10-21(16-23(24)26(30)31)18-4-2-1-3-5-18/h1-6,8-9,11,14-15,21,28H,7,10,12-13,16H2,(H,27,29)(H,30,31)
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| InChIKey |
OUDAEQVANHAUTN-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