General Information of the Compound
| Compound ID |
CP0940699
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| Compound Name |
US9199981, F125
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(N4CCN(C)CC4)C3)n2)cc1NC(=O)c1cnc2ccccn12
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| InChI |
InChI=1S/C26H29N7O2/c1-17-6-7-18(15-21(17)28-25(34)22-16-27-23-5-3-4-8-33(22)23)24-29-26(35-30-24)19-13-20(14-19)32-11-9-31(2)10-12-32/h3-8,15-16,19-20H,9-14H2,1-2H3,(H,28,34)
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| InChIKey |
AXOIMIICKSYXMT-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