General Information of the Compound
| Compound ID |
CP0419745
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| Compound Name |
US8754233, 4-Benzothiazol-2-yl-N3-[2-(1H-indol-3-yl)-ethyl]-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C20H18N6S
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| Molecular Weight |
374.473
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| Canonical SMILES |
Nc1n[nH]c(NCCc2c[nH]c3ccccc23)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H18N6S/c21-18-17(20-24-15-7-3-4-8-16(15)27-20)19(26-25-18)22-10-9-12-11-23-14-6-2-1-5-13(12)14/h1-8,11,23H,9-10H2,(H4,21,22,25,26)
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| InChIKey |
ZRHKDIZYIZJVCT-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