General Information of the Compound
| Compound ID |
CP0474735
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| Compound Name |
US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C12H10N4O2S
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| Molecular Weight |
274.305
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)C(O)=O
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| InChI |
InChI=1S/C12H10N4O2S/c1-5-9(10(13)16-15-5)11-14-7-3-2-6(12(17)18)4-8(7)19-11/h2-4H,1H3,(H,17,18)(H3,13,15,16)
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| InChIKey |
RVGKCCVUQDDNPV-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