General Information of the Compound
| Compound ID |
CP0462209
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| Compound Name |
3-[[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]-4-methoxy-4-oxobutanoic acid
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| Structure |
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| Formula |
C31H46N2O7
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| Molecular Weight |
558.716
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(CC(O)=O)C(=O)OC
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| InChI |
InChI=1S/C31H46N2O7/c1-8-30(38,9-2)17-18-40-25-15-13-22(19-21(25)6)31(10-3,11-4)26-16-14-24(33(26)12-5)28(36)32-23(20-27(34)35)29(37)39-7/h13-16,19,23,38H,8-12,17-18,20H2,1-7H3,(H,32,36)(H,34,35)
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| InChIKey |
OSFRGHHYOARBJF-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