General Information of the Compound
| Compound ID |
CP0235289
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| Compound Name |
[1-methyl-4-(4-nitro-N-propan-2-ylanilino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C19H24N4O3
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| Molecular Weight |
356.426
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| Canonical SMILES |
CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H24N4O3/c1-14(2)22(15-6-8-16(9-7-15)23(25)26)17-12-18(20(3)13-17)19(24)21-10-4-5-11-21/h6-9,12-14H,4-5,10-11H2,1-3H3
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| InChIKey |
URANNUDQUCDZRM-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