General Information of the Compound
| Compound ID |
CP0317473
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| Compound Name |
[4-[N-[(4-hydroxyphenyl)methyl]-3,5-dimethylanilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
Cc1cc(C)cc(c1)N(Cc1ccc(O)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
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| InChI |
InChI=1S/C25H29N3O2/c1-18-12-19(2)14-21(13-18)28(16-20-6-8-23(29)9-7-20)22-15-24(26(3)17-22)25(30)27-10-4-5-11-27/h6-9,12-15,17,29H,4-5,10-11,16H2,1-3H3
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| InChIKey |
MOOJZBBQWIKHKT-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