General Information of the Compound
| Compound ID |
CP0092207
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| Compound Name |
3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C26H22ClN3O2
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| Molecular Weight |
443.934
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| Canonical SMILES |
CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1
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| InChI |
InChI=1S/C26H22ClN3O2/c1-29(2)13-15-8-9-16-10-11-20(27)22(18(16)12-15)24-23(25(31)28-26(24)32)19-14-30(3)21-7-5-4-6-17(19)21/h4-12,14H,13H2,1-3H3,(H,28,31,32)
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| InChIKey |
GDZULWKNFKCRJP-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