General Information of the Compound
| Compound ID |
CP0716626
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| Compound Name |
5-(Benzo[d]thiazol-2-yl)-6-(((1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)amino)-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C21H25N5O4S
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| Molecular Weight |
443.529
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| Canonical SMILES |
O=c1[nH]c(N2CCCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C21H25N5O4S/c27-10-11-9-13(17(29)16(11)28)22-18-15(20-23-12-5-1-2-6-14(12)31-20)19(30)25-21(24-18)26-7-3-4-8-26/h1-2,5-6,11,13,16-17,27-29H,3-4,7-10H2,(H2,22,24,25,30)/t11-,13-,16-,17+/m1/s1
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| InChIKey |
UCINNDFXFDNZAE-ZPUIDXCVSA-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