General Information of the Compound
| Compound ID |
CP0548896
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| Compound Name |
N-[2-(dimethylamino)ethyl]-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 |
C30H49N3O3
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| Molecular Weight |
499.74
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C30H49N3O3/c1-9-29(35,10-2)18-21-36-26-16-14-24(22-23(26)6)30(11-3,12-4)27-17-15-25(33(27)13-5)28(34)31-19-20-32(7)8/h14-17,22,35H,9-13,18-21H2,1-8H3,(H,31,34)
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| InChIKey |
RTEGDIBLJLIZTC-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