General Information of the Compound
| Compound ID |
CP0511998
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| Compound Name |
US8802711, 58
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
OC1(CCC(C1)NC(=O)Nc1cccc2[nH]ncc12)c1ccccc1
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| InChI |
InChI=1S/C19H20N4O2/c24-18(22-16-7-4-8-17-15(16)12-20-23-17)21-14-9-10-19(25,11-14)13-5-2-1-3-6-13/h1-8,12,14,25H,9-11H2,(H,20,23)(H2,21,22,24)
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| InChIKey |
CGBJPDMSZCRALM-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