General Information of the Compound
| Compound ID |
CP0963835
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| Compound Name |
US9133168, Example 12c
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| Structure |
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| Formula |
C19H22N4O4
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| Molecular Weight |
370.409
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| Canonical SMILES |
CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(O)c21
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| InChI |
InChI=1S/C19H22N4O4/c1-12-11-23(13-3-2-4-14(24)19(12)13)18(26)9-15-20-16(10-17(25)21-15)22-5-7-27-8-6-22/h2-4,10,12,24H,5-9,11H2,1H3,(H,20,21,25)
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| InChIKey |
MMIAEDZUIQQZRC-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