General Information of the Compound
| Compound ID |
CP0130021
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-cyclopropylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C20H23N5O3S
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| Molecular Weight |
413.503
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| Canonical SMILES |
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C1CC1
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| InChI |
InChI=1S/C20H23N5O3S/c21-20-24-15(9-5-6-9)14(19-23-11-3-1-2-4-13(11)29-19)18(25-20)22-12-7-10(8-26)16(27)17(12)28/h1-4,9-10,12,16-17,26-28H,5-8H2,(H3,21,22,24,25)/t10-,12-,16-,17+/m1/s1
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| InChIKey |
UKRIQTHNKCPHKX-HOLCONJYSA-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