General Information of the Compound
| Compound ID |
CP0552230
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| Compound Name |
N-(2-cyanoethyl)-1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H43N3O3
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| Molecular Weight |
481.681
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CCC#N
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| InChI |
InChI=1S/C29H43N3O3/c1-9-29(10-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)11-3)27(34)31(8)18-12-17-30/h13-16,19,26,33H,9-12,18,20H2,1-8H3
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| InChIKey |
RDIDUJHUWGPJHX-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