General Information of the Compound
| Compound ID |
CP0417106
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| Compound Name |
N-[2-(diethylamino)ethyl]-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 |
C32H49N3O2
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| Molecular Weight |
507.763
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C32H49N3O2/c1-9-31(37,10-2)19-18-26-16-17-27(22-25(26)8)32(11-3,12-4)28-23-29(35(15-7)24-28)30(36)33-20-21-34(13-5)14-6/h16-17,22-24,37H,9-15,20-21H2,1-8H3,(H,33,36)
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| InChIKey |
SEDZRSKEYZKUDF-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