General Information of the Compound
| Compound ID |
CP0474563
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| Compound Name |
4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzonitrile
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| Structure |
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| Formula |
C24H24N4O
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| Molecular Weight |
384.483
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3
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| InChIKey |
UQSVMOZWLRRFGG-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