General Information of the Compound
| Compound ID |
CP0469317
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| Compound Name |
N-[3-(dimethylamino)propyl]-1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-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(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C
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| InChI |
InChI=1S/C30H49N3O3/c1-10-30(11-2,23-14-16-25(22(4)20-23)36-21-27(34)29(5,6)7)26-17-15-24(33(26)12-3)28(35)31-18-13-19-32(8)9/h14-17,20,27,34H,10-13,18-19,21H2,1-9H3,(H,31,35)
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| InChIKey |
IPCGGKHSMHMGPH-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