General Information of the Compound
| Compound ID |
CP0005235
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| Compound Name |
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[1-(1,4,4a,8a-tetrahydro-naphthalen-1-yl)-1H-indol-3-yl]-pyrrole-2,5-dione
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| Structure |
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| Formula |
C34H29N5O2
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| Molecular Weight |
539.639
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| Canonical SMILES |
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C34H29N5O2/c1-37(2)19-10-20-39-29-17-8-6-15-25(29)32(36-39)31-30(33(40)35-34(31)41)26-21-38(28-16-7-5-14-24(26)28)27-18-9-12-22-11-3-4-13-23(22)27/h3-9,11-18,21H,10,19-20H2,1-2H3,(H,35,40,41)
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| InChIKey |
IGFXNXIRVKBKLL-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