General Information of the Compound
| Compound ID |
CP0353658
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| Compound Name |
2-methyl-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(C(O)=O)c(C)c3)c2c1
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| InChI |
InChI=1S/C22H21N5O2/c1-13(2)25-17-6-4-16-10-24-27(20(16)9-17)21-12-23-11-19(26-21)15-5-7-18(22(28)29)14(3)8-15/h4-13,25H,1-3H3,(H,28,29)
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| InChIKey |
BMXDCSMQHWMJCU-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