General Information of the Compound
| Compound ID |
CP0576882
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| Compound Name |
US9199981, F50
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| Structure |
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| Formula |
C30H30F2N8O3
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| Molecular Weight |
588.619
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CCN2CCOCC2)c1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C30H30F2N8O3/c1-19-2-3-20(27-36-29(43-37-27)22-13-30(31,32)14-22)12-24(19)35-28(41)25-16-33-26-5-4-21(18-40(25)26)23-15-34-39(17-23)7-6-38-8-10-42-11-9-38/h2-5,12,15-18,22H,6-11,13-14H2,1H3,(H,35,41)
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| InChIKey |
FGAQHQPHMGQONA-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