General Information of the Compound
| Compound ID |
CP0560466
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| Compound Name |
methyl 3-[[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]propanoate
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| Structure |
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| Formula |
C30H42N2O4
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| Molecular Weight |
494.676
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCCC(=O)OC
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| InChI |
InChI=1S/C30H42N2O4/c1-8-29(35,9-2)19-17-23-13-14-24(21-22(23)6)30(10-3,11-4)26-16-15-25(32(26)12-5)28(34)31-20-18-27(33)36-7/h13-16,21,35H,8-12,18,20H2,1-7H3,(H,31,34)
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| InChIKey |
FOXTZSRPSZKUAQ-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