General Information of the Compound
| Compound ID |
CP0549234
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| Compound Name |
N-[2-(diethylamino)ethyl]-5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C31H49N3O3
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| Molecular Weight |
511.751
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C31H49N3O3/c1-10-31(11-2,24-15-17-26(23(6)21-24)37-22-28(35)30(7,8)9)27-18-16-25(34(27)14-5)29(36)32-19-20-33(12-3)13-4/h15-18,21H,10-14,19-20,22H2,1-9H3,(H,32,36)
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| InChIKey |
DJDBKQOHEHVIHY-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