General Information of the Compound
| Compound ID |
CP0476970
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| Compound Name |
US9169224, 141
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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 |
OC(=O)c1cccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)c1
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| InChI |
InChI=1S/C22H22N4O3/c27-21(28)18-5-3-6-19(13-18)24-22(29)26-10-8-25(9-11-26)15-16-12-17-4-1-2-7-20(17)23-14-16/h1-7,12-14H,8-11,15H2,(H,24,29)(H,27,28)
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| InChIKey |
CHDLHDMNVISUIK-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