General Information of the Compound
| Compound ID |
CP0574016
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| Compound Name |
US9266876, 42
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| Structure |
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| Formula |
C23H20ClN7OS
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| Molecular Weight |
477.981
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| Canonical SMILES |
Clc1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN(CC1)C(=O)Cn1ccc2cccnc12
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| InChI |
InChI=1S/C23H20ClN7OS/c24-23-28-19(20-26-16-5-1-2-6-17(16)27-20)22(33-23)30-12-10-29(11-13-30)18(32)14-31-9-7-15-4-3-8-25-21(15)31/h1-9H,10-14H2,(H,26,27)
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| InChIKey |
GESBKOWUIYJDQY-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