General Information of the Compound
| Compound ID |
CP0424179
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| Compound Name |
US9062059, 2-37
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| Structure |
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| Formula |
C20H22N6OS
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| Molecular Weight |
394.504
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| Canonical SMILES |
Cc1nc(NCc2nnc(s2)C2CC2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1
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| InChI |
InChI=1S/C20H22N6OS/c1-12-23-17(22-10-19-25-26-20(28-19)13-5-6-13)9-18(24-12)27-11-14-8-15(14)16-4-2-3-7-21-16/h2-4,7,9,13-15H,5-6,8,10-11H2,1H3,(H,22,23,24)/t14-,15+/m1/s1
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| InChIKey |
ORACWHWYLOTQCR-CABCVRRESA-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