General Information of the Compound
| Compound ID |
CP0149001
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| Compound Name |
1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-prop-2-ynylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C28H40N2O3
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| Molecular Weight |
452.639
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C
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| InChI |
InChI=1S/C28H40N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18,25,31H,10-12,17,19H2,2-8H3,(H,29,32)
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| InChIKey |
UBHJGCOFTUTHKP-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