General Information of the Compound
| Compound ID |
CP0897971
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| Compound Name |
4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-(2-methoxyethyl)cyclopent-2-enone
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| Formula |
C23H22Cl2O5
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| Molecular Weight |
449.33
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| Canonical SMILES |
COCCC1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)C1c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19,28H,8-9H2,1-3H3
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| InChIKey |
DIFWLIKHISATKJ-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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Protein ID: PT01679, 17-beta-hydroxysteroid dehydrogenase type 2