General Information of the Compound
| Compound ID |
CP0538904
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| Compound Name |
US8754233, N3-[2-(3H-Imidazol-4-yl)-ethyl]-4-(6-methoxy-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C16H17N7OS
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| Molecular Weight |
355.427
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| Canonical SMILES |
COc1ccc2nc(sc2c1)-c1c(N)n[nH]c1NCCc1cnc[nH]1
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| InChI |
InChI=1S/C16H17N7OS/c1-24-10-2-3-11-12(6-10)25-16(21-11)13-14(17)22-23-15(13)19-5-4-9-7-18-8-20-9/h2-3,6-8H,4-5H2,1H3,(H,18,20)(H4,17,19,22,23)
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| InChIKey |
IZFBHPLFFRVTAH-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