General Information of the Compound
| Compound ID |
CP0447295
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| Compound Name |
methyl 2-[[1-ethyl-4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]acetate
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| Structure |
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| Formula |
C29H40N2O4
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| Molecular Weight |
480.649
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| Canonical SMILES |
CCn1cc(cc1C(=O)NCC(=O)OC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C29H40N2O4/c1-8-28(34,9-2)16-15-22-13-14-23(17-21(22)6)29(10-3,11-4)24-18-25(31(12-5)20-24)27(33)30-19-26(32)35-7/h13-14,17-18,20,34H,8-12,19H2,1-7H3,(H,30,33)
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| InChIKey |
ITDJEKMIHJSJDE-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