General Information of the Compound
| Compound ID |
CP0554338
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| Compound Name |
US8829200, 8
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| Structure |
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| Formula |
C24H23N7O
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| Molecular Weight |
425.496
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| Canonical SMILES |
CNC(=O)c1ccc(cc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
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| InChI |
InChI=1S/C24H23N7O/c1-24(2,3)31-20-8-6-15(16-12-28-23(26)29-13-16)10-19(20)30-21(31)18-9-14(11-25)5-7-17(18)22(32)27-4/h5-10,12-13H,1-4H3,(H,27,32)(H2,26,28,29)
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| InChIKey |
RZAKHCVNJSYQOI-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