General Information of the Compound
| Compound ID |
CP0406809
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| Compound Name |
US9206164, 59
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
COc1ccc2[nH]c(nc2c1)-c1ccc(Cn2nc(C)c(CC(O)=O)c2C)cc1
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| InChI |
InChI=1S/C22H22N4O3/c1-13-18(11-21(27)28)14(2)26(25-13)12-15-4-6-16(7-5-15)22-23-19-9-8-17(29-3)10-20(19)24-22/h4-10H,11-12H2,1-3H3,(H,23,24)(H,27,28)
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| InChIKey |
LFRAJWJJJQPSJD-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