General Information of the Compound
| Compound ID |
CP0243759
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| Compound Name |
US9233968, 1
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| Structure |
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| Formula |
C22H18N6O
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| Molecular Weight |
382.427
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)C#Cc2ccc3nc(N)cn3n2)c1
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| InChI |
InChI=1S/C22H18N6O/c1-15-3-2-4-19(13-15)25-22(29)24-17-8-5-16(6-9-17)7-10-18-11-12-21-26-20(23)14-28(21)27-18/h2-6,8-9,11-14H,23H2,1H3,(H2,24,25,29)
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| InChIKey |
WJRWBOYBCVRDKC-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