General Information of the Compound
| Compound ID |
CP0130023
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| Compound Name |
[(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
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| Structure |
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| Formula |
C21H27N5OS
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| Molecular Weight |
397.548
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| Canonical SMILES |
CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1
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| InChI |
InChI=1S/C21H27N5OS/c1-3-10-22-21-23-13(2)18(20-25-16-6-4-5-7-17(16)28-20)19(26-21)24-15-9-8-14(11-15)12-27/h4-7,14-15,27H,3,8-12H2,1-2H3,(H2,22,23,24,26)/t14-,15+/m1/s1
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| InChIKey |
QHEQXKNUSGSEDG-CABCVRRESA-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