General Information of the Compound
| Compound ID |
CP0488815
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| Compound Name |
US9062059, 16-4
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| Structure |
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| Formula |
C19H20N8OS
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| Molecular Weight |
408.491
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| Canonical SMILES |
Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)c2C#N)s1
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| InChI |
InChI=1S/C19H20N8OS/c1-10-3-4-15(22-7-10)13-5-12(13)9-28-18-14(6-20)17(24-19(21)25-18)23-8-16-27-26-11(2)29-16/h3-4,7,12-13H,5,8-9H2,1-2H3,(H3,21,23,24,25)/t12-,13+/m1/s1
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| InChIKey |
YETFMBYLZZBYOX-OLZOCXBDSA-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