General Information of the Compound
| Compound ID |
CP0556416
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| Compound Name |
(1S,2S)-2-[[6-[(2-amino-3-chloropyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Structure |
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| Formula |
C19H21ClN4O2S
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| Molecular Weight |
404.923
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| Canonical SMILES |
Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)c1Cl
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| InChI |
InChI=1S/C19H21ClN4O2S/c20-17-11(7-8-22-18(17)21)10-26-12-5-6-14-16(9-12)27-19(24-14)23-13-3-1-2-4-15(13)25/h5-9,13,15,25H,1-4,10H2,(H2,21,22)(H,23,24)/t13-,15-/m0/s1
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| InChIKey |
NGKALCMOLVCFHL-ZFWWWQNUSA-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