General Information of the Compound
| Compound ID |
CP0254571
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| Compound Name |
3-chloro-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
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| Structure |
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| Formula |
C21H18ClN5O2
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| Molecular Weight |
407.861
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| Canonical SMILES |
CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3Cl)C(O)=O)c2c1
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| InChI |
InChI=1S/C21H18ClN5O2/c1-12(2)25-15-5-3-14-9-24-27(19(14)8-15)20-11-23-10-18(26-20)16-6-4-13(21(28)29)7-17(16)22/h3-12,25H,1-2H3,(H,28,29)
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| InChIKey |
TXXUEHVGHOFRGC-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