General Information of the Compound
| Compound ID |
CP0508929
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| Compound Name |
US9206164, 60
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| Structure |
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2nc3ccncc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C20H19N5O2/c1-12-16(9-19(26)27)13(2)25(24-12)11-14-3-5-15(6-4-14)20-22-17-7-8-21-10-18(17)23-20/h3-8,10H,9,11H2,1-2H3,(H,22,23)(H,26,27)
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| InChIKey |
OFVBVIJXRYSOQH-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