General Information of the Compound
| Compound ID |
CP0538907
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| Compound Name |
US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid 4-methoxy-benzylamide
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| Structure |
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| Formula |
C19H19N5O3S2
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| Molecular Weight |
429.527
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| Canonical SMILES |
COc1ccc(CNS(=O)(=O)c2ccc3nc(sc3c2)-c2c(C)[nH]nc2N)cc1
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| InChI |
InChI=1S/C19H19N5O3S2/c1-11-17(18(20)24-23-11)19-22-15-8-7-14(9-16(15)28-19)29(25,26)21-10-12-3-5-13(27-2)6-4-12/h3-9,21H,10H2,1-2H3,(H3,20,23,24)
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| InChIKey |
KIQPZXXFPRZTBR-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