General Information of the Compound
| Compound ID |
CP0115722
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| Compound Name |
3-[2-chloro-7-[[cyclopropyl(methyl)amino]methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C28H24ClN3O2
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| Molecular Weight |
469.972
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| Canonical SMILES |
CN(Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1)C1CC1
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| InChI |
InChI=1S/C28H24ClN3O2/c1-31(18-10-11-18)14-16-7-8-17-9-12-22(29)24(20(17)13-16)26-25(27(33)30-28(26)34)21-15-32(2)23-6-4-3-5-19(21)23/h3-9,12-13,15,18H,10-11,14H2,1-2H3,(H,30,33,34)
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| InChIKey |
SQVAWPTVROSMDK-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