General Information of the Compound
| Compound ID |
CP0633642
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| Compound Name |
1-(2-Isopropylphenyl)-4-5-methylpyridin-2-yl)-1H-indazole-6-carboxylic acid ((S)-2-hydroxy-1-methylethyl)amide
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3-c2ccccc2C(C)C)nc1
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| InChI |
InChI=1S/C26H28N4O2/c1-16(2)20-7-5-6-8-24(20)30-25-12-19(26(32)29-18(4)15-31)11-21(22(25)14-28-30)23-10-9-17(3)13-27-23/h5-14,16,18,31H,15H2,1-4H3,(H,29,32)/t18-/m0/s1
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| InChIKey |
TYZFKVQYKKYAAW-SFHVURJKSA-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