General Information of the Compound
| Compound ID |
CP0571601
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| Compound Name |
but-3-yn-2-yl 1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C30H43NO4
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| Molecular Weight |
481.677
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OC(C)C#C
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| InChI |
InChI=1S/C30H43NO4/c1-9-23(8)35-28(32)25-16-18-27(31(25)14-6)30(12-4,13-5)24-15-17-26(22(7)21-24)34-20-19-29(33,10-2)11-3/h1,15-18,21,23,33H,10-14,19-20H2,2-8H3
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| InChIKey |
IJDFUIOHDSBWMS-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