General Information of the Compound
| Compound ID |
CP0566541
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| Compound Name |
N-[3-(dimethylamino)propyl]-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C31H51N3O3
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| Molecular Weight |
513.767
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCCN(C)C
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| InChI |
InChI=1S/C31H51N3O3/c1-9-30(36,10-2)19-22-37-27-17-15-25(23-24(27)6)31(11-3,12-4)28-18-16-26(34(28)13-5)29(35)32-20-14-21-33(7)8/h15-18,23,36H,9-14,19-22H2,1-8H3,(H,32,35)
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| InChIKey |
MJKTVUBTQQDQCR-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