General Information of the Compound
| Compound ID |
CP0478040
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| Compound Name |
US9266876, 1
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| Structure |
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| Formula |
C23H21N7OS
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| Molecular Weight |
443.536
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| Canonical SMILES |
O=C(Cn1cnc2ccccc12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H21N7OS/c31-20(13-30-14-24-18-7-3-4-8-19(18)30)28-9-11-29(12-10-28)23-21(25-15-32-23)22-26-16-5-1-2-6-17(16)27-22/h1-8,14-15H,9-13H2,(H,26,27)
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| InChIKey |
BGIPMVWYZIKOEO-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