General Information of the Compound
| Compound ID |
CP0092203
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| Compound Name |
3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C25H20ClN3O2
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| Molecular Weight |
429.907
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| Canonical SMILES |
CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1
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| InChI |
InChI=1S/C25H20ClN3O2/c1-29(2)13-14-7-9-16-15(11-14)8-10-19(26)21(16)23-22(24(30)28-25(23)31)18-12-27-20-6-4-3-5-17(18)20/h3-12,27H,13H2,1-2H3,(H,28,30,31)
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| InChIKey |
VDBJPTBJJMQNOW-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
Protein ID: PT01127, Protein kinase C theta type
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000752 | PBMC iPSC #1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 59 nM
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