General Information of the Compound
| Compound ID |
CP0481580
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| Compound Name |
(1R,3R)-3-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C18H19N5OS
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| Molecular Weight |
353.451
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| Canonical SMILES |
NC(=O)[C@@H]1CCC[C@H](C1)Nc1ncnc2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C18H19N5OS/c19-17(24)12-2-1-3-13(6-12)23-18-14-7-11(16-8-20-10-25-16)4-5-15(14)21-9-22-18/h4-5,7-10,12-13H,1-3,6H2,(H2,19,24)(H,21,22,23)/t12-,13-/m1/s1
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| InChIKey |
UPPIWUSHSPAOJF-CHWSQXEVSA-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