General Information of the Compound
| Compound ID |
CP0457800
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| Compound Name |
7-[[(2R)-1-hydroxypropan-2-yl]amino]-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
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| Structure |
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| Formula |
C13H15N5O2S3
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| Molecular Weight |
369.497
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| Canonical SMILES |
C[C@H](CO)Nc1[nH]c(SCc2csc(C)n2)nc2nc(=O)sc12
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| InChI |
InChI=1S/C13H15N5O2S3/c1-6(3-19)14-10-9-11(18-13(20)23-9)17-12(16-10)22-5-8-4-21-7(2)15-8/h4,6,19H,3,5H2,1-2H3,(H2,14,16,17,18,20)/t6-/m1/s1
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| InChIKey |
KFHSDCXNOPXKDP-ZCFIWIBFSA-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