General Information of the Compound
| Compound ID |
CP0639316
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| Compound Name |
1-(3-Methylbutyl)-4-(5-methylpyridin-2-yl)-1H-indazole-6-carboxylic acid (6-methylpyridazin-3-ylmethyl)amide
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nn3)cc3c2cnn3CCC(C)C)nc1
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| InChI |
InChI=1S/C25H28N6O/c1-16(2)9-10-31-24-12-19(25(32)27-14-20-7-6-18(4)29-30-20)11-21(22(24)15-28-31)23-8-5-17(3)13-26-23/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,27,32)
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| InChIKey |
HNBMXRXUZXPWRO-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