General Information of the Compound
| Compound ID |
CP0875697
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| Compound Name |
4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-5-p-tolyl-1H-pyrrol-2(5H)-one
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| Formula |
C29H30N2O4
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| Molecular Weight |
470.569
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| Canonical SMILES |
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(C)cc2)cc1C
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| InChI |
InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,26,33H,4-5,15,18H2,1-3H3
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| InChIKey |
GOBIJYHLFXPBLN-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1