General Information of the Compound
| Compound ID |
CP0013222
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| Compound Name |
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-thiophen-2-yl-1H-indol-3-yl)-pyrrole-2,5-dione
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| Structure |
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| Formula |
C28H25N5O2S
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| Molecular Weight |
495.608
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| Canonical SMILES |
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C28H25N5O2S/c1-31(2)14-8-15-33-22-12-6-4-10-19(22)26(30-33)25-24(27(34)29-28(25)35)20-17-32(23-13-7-16-36-23)21-11-5-3-9-18(20)21/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,29,34,35)
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| InChIKey |
WPSBCJTXGDVGAZ-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: PT06662, Cyclin-dependent kinase 1
Protein ID: PT01605, Epidermal growth factor receptor
Protein ID: PT05069, Insulin receptor
Protein ID: PT03500, Mitogen-activated protein kinase 1
Protein ID: PT01495, Protein kinase C beta type