General Information of the Compound
| Compound ID |
CP0417105
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| Compound Name |
but-3-ynyl 1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C30H39NO3
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| Molecular Weight |
461.646
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)OCCC#C
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| InChI |
InChI=1S/C30H39NO3/c1-8-14-21-34-28(32)26-17-18-27(31(26)13-6)30(11-4,12-5)25-16-15-24(23(7)22-25)19-20-29(33,9-2)10-3/h1,15-18,22,33H,9-14,21H2,2-7H3
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| InChIKey |
IBGCIGPWBGUVKF-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