General Information of the Compound
| Compound ID |
CP0072175
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C18H21N5O3S
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| Molecular Weight |
387.465
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| Canonical SMILES |
Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C18H21N5O3S/c1-8-13(17-22-10-4-2-3-5-12(10)27-17)16(23-18(19)20-8)21-11-6-9(7-24)14(25)15(11)26/h2-5,9,11,14-15,24-26H,6-7H2,1H3,(H3,19,20,21,23)/t9-,11-,14-,15+/m1/s1
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| InChIKey |
JOUOYTKZTYTZGM-VGKMCQHDSA-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