General Information of the Compound
| Compound ID |
CP0466863
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| Compound Name |
6-[(1S)-1-[1-[5-(2-hydroxyethyl)pyridin-2-yl]pyrazol-3-yl]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C19H18N4O2S
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| Molecular Weight |
366.446
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| Canonical SMILES |
C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
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| InChI |
InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
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| InChIKey |
NLLJBKWGHPARPW-LBPRGKRZSA-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