General Information of the Compound
| Compound ID |
CP0537004
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| Compound Name |
US8940771, 102
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| Structure |
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| Formula |
C19H22N8O2S
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| Molecular Weight |
426.506
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(n1)-n1ccnc1C
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| InChI |
InChI=1S/C19H22N8O2S/c1-11-14(13-5-7-22-16(24-13)26-10-8-21-12(26)2)30-17(23-11)25-18(29)27-9-4-6-19(27,3)15(20)28/h5,7-8,10H,4,6,9H2,1-3H3,(H2,20,28)(H,23,25,29)/t19-/m0/s1
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| InChIKey |
ZRLHXMYWTLBXDD-IBGZPJMESA-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