General Information of the Compound
| Compound ID |
CP0099260
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-ethylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C19H23N5O3S
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| Molecular Weight |
401.492
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| Canonical SMILES |
CCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C19H23N5O3S/c1-2-10-14(18-22-11-5-3-4-6-13(11)28-18)17(24-19(20)23-10)21-12-7-9(8-25)15(26)16(12)27/h3-6,9,12,15-16,25-27H,2,7-8H2,1H3,(H3,20,21,23,24)/t9-,12-,15-,16+/m1/s1
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| InChIKey |
OCIDYSUOSABQPF-NRXFTUCASA-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