General Information of the Compound
| Compound ID |
CP0576909
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| Compound Name |
US9266876, 110
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| Structure |
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| Formula |
C21H20N6OS
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| Molecular Weight |
404.499
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| Canonical SMILES |
O=C(Cc1cccnc1)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C21H20N6OS/c28-18(12-15-4-3-7-22-13-15)26-8-10-27(11-9-26)21-19(23-14-29-21)20-24-16-5-1-2-6-17(16)25-20/h1-7,13-14H,8-12H2,(H,24,25)
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| InChIKey |
MWOOOYWWBDFWEM-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