General Information of the Compound
| Compound ID |
CP0516831
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| Compound Name |
US9212153, 467,Ex. 401
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1
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| InChI |
InChI=1S/C24H24N4O2/c1-14-18-13-23(10-9-20(18)27-30-14)12-17-8-7-16(6-5-15-3-4-15)11-19(17)24(23)21(29)28(2)22(25)26-24/h7-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H2,25,26)
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| InChIKey |
CFVFELQKHUFPHB-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