General Information of the Compound
| Compound ID |
CP0095649
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| Compound Name |
(2E)-3-{4-[3-(adamantan-1-yl)-4-aminophenyl]-3-chlorophenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C25H26ClNO2
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| Molecular Weight |
407.941
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| Canonical SMILES |
Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C25H26ClNO2/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18H,7-9,12-14,27H2,(H,28,29)/b6-2+
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| InChIKey |
MDZHCLVOVABFGD-QHHAFSJGSA-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