General Information of the Compound
| Compound ID |
CP0420391
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| Compound Name |
1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]-N-[(3-methylphenyl)methyl]-4-piperidinecarboxamide
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1cccc(C)c1
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| InChI |
InChI=1S/C28H32N6O2/c1-18-6-5-7-21(16-18)17-29-28(35)22-12-14-33(15-13-22)27-26-25(19(2)30-31-27)20(3)34(32-26)23-8-10-24(36-4)11-9-23/h5-11,16,22H,12-15,17H2,1-4H3,(H,29,35)
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| InChIKey |
HFASLYFPYMGHFV-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8