General Information of the Compound
| Compound ID |
CP0247307
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| Compound Name |
(2E)-3-{4-[3-(adamantan-1-yl)-4-acetamidophenyl]-3-chlorophenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C27H28ClNO3
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| Molecular Weight |
449.978
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C27H28ClNO3/c1-16(30)29-25-6-4-21(22-5-2-17(11-24(22)28)3-7-26(31)32)12-23(25)27-13-18-8-19(14-27)10-20(9-18)15-27/h2-7,11-12,18-20H,8-10,13-15H2,1H3,(H,29,30)(H,31,32)/b7-3+
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| InChIKey |
WAHJESODRLFYLI-XVNBXDOJSA-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