General Information of the Compound
| Compound ID |
CP0037016
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| Compound Name |
(4-(3,5-dimethylphenylamino)-1-methyl-1H-pyrrol-2-yl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C18H23N3O
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| Molecular Weight |
297.402
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| Canonical SMILES |
Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1
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| InChI |
InChI=1S/C18H23N3O/c1-13-8-14(2)10-15(9-13)19-16-11-17(20(3)12-16)18(22)21-6-4-5-7-21/h8-12,19H,4-7H2,1-3H3
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| InChIKey |
HFWKXYQIRSHKRX-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