General Information of the Compound
| Compound ID |
CP0240840
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| Compound Name |
3-methoxy-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
COc1cc(ccc1-c1cncc(n1)-n1ncc2ccc(NC(C)C)cc12)C(O)=O
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| InChI |
InChI=1S/C22H21N5O3/c1-13(2)25-16-6-4-15-10-24-27(19(15)9-16)21-12-23-11-18(26-21)17-7-5-14(22(28)29)8-20(17)30-3/h4-13,25H,1-3H3,(H,28,29)
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| InChIKey |
RVBGRABSPJIVJG-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