General Information of the Compound
| Compound ID |
CP0447296
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| Compound Name |
N-[3-(dimethylamino)propyl]-1-ethyl-4-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C31H47N3O2
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| Molecular Weight |
493.736
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| Canonical SMILES |
CCn1cc(cc1C(=O)NCCCN(C)C)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C31H47N3O2/c1-9-30(36,10-2)18-17-25-15-16-26(21-24(25)6)31(11-3,12-4)27-22-28(34(13-5)23-27)29(35)32-19-14-20-33(7)8/h15-16,21-23,36H,9-14,19-20H2,1-8H3,(H,32,35)
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| InChIKey |
YKJKYQMHFJGPAY-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