General Information of the Compound
| Compound ID |
CP0518005
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| Compound Name |
US9266876, 6
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| Structure |
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| Formula |
C20H21N7OS
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| Molecular Weight |
407.503
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| Canonical SMILES |
Cc1ccn(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H21N7OS/c1-14-6-7-27(24-14)12-17(28)25-8-10-26(11-9-25)20-18(21-13-29-20)19-22-15-4-2-3-5-16(15)23-19/h2-7,13H,8-12H2,1H3,(H,22,23)
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| InChIKey |
CUEGGPYIWILLKJ-UHFFFAOYSA-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