General Information of the Compound
| Compound ID |
CP0332400
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| Compound Name |
[4-(3,5-dimethyl-N-propan-2-ylanilino)-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C21H29N3O/c1-15(2)24(18-11-16(3)10-17(4)12-18)19-13-20(22(5)14-19)21(25)23-8-6-7-9-23/h10-15H,6-9H2,1-5H3
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| InChIKey |
QCVKIPBEESFZDR-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