General Information of the Compound
| Compound ID |
CP0382556
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| Compound Name |
US8754233, 2-{[2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazol-6-ylmethyl]-amino}-ethanol
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| Structure |
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| Formula |
C14H17N5OS
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| Molecular Weight |
303.391
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(CNCCO)cc2s1
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| InChI |
InChI=1S/C14H17N5OS/c1-8-12(13(15)19-18-8)14-17-10-3-2-9(6-11(10)21-14)7-16-4-5-20/h2-3,6,16,20H,4-5,7H2,1H3,(H3,15,18,19)
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| InChIKey |
XFXQMZJSCLGLIJ-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