General Information of the Compound
| Compound ID |
CP0091013
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| Compound Name |
methyl 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzoate
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
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| InChI |
InChI=1S/C25H27N3O3/c1-26-18-22(16-23(26)24(29)27-14-6-7-15-27)28(17-19-8-4-3-5-9-19)21-12-10-20(11-13-21)25(30)31-2/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3
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| InChIKey |
HHUYAHYYUYTRFJ-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