General Information of the Compound
| Compound ID |
CP0416416
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| Compound Name |
US8754233, 3-{[2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazol-6-ylmethyl]-amino}-benzenesulfonamide
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| Structure |
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| Formula |
C18H18N6O2S2
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| Molecular Weight |
414.516
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(CNc3cccc(c3)S(N)(=O)=O)cc2s1
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| InChI |
InChI=1S/C18H18N6O2S2/c1-10-16(17(19)24-23-10)18-22-14-6-5-11(7-15(14)27-18)9-21-12-3-2-4-13(8-12)28(20,25)26/h2-8,21H,9H2,1H3,(H3,19,23,24)(H2,20,25,26)
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| InChIKey |
VJFIYDBGQUIIMI-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