General Information of the Compound
| Compound ID |
CP0450119
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| Compound Name |
US8829200, 1
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C22H21N5O2/c1-22(2,3)27-18-9-8-13(14-11-24-21(23)25-12-14)10-17(18)26-19(27)15-6-4-5-7-16(15)20(28)29/h4-12H,1-3H3,(H,28,29)(H2,23,24,25)
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| InChIKey |
JHGGRSSNWWYNRP-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