General Information of the Compound
| Compound ID |
CP0516240
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| Compound Name |
US8993765, 12
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| Structure |
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| Formula |
C24H28FN5O
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| Molecular Weight |
421.52
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| Canonical SMILES |
CC1Cc2c(CN1)c1ccc(nc1n2C)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C24H28FN5O/c1-16-13-21-20(14-26-16)19-7-8-22(27-24(19)28(21)2)30-12-11-29(15-23(30)31)10-9-17-3-5-18(25)6-4-17/h3-8,16,26H,9-15H2,1-2H3
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| InChIKey |
FNOOPYDJJALXRZ-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