General Information of the Compound
| Compound ID |
CP0555995
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| Compound Name |
US9062048, 36
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| Formula |
C23H28F3N5O
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| Molecular Weight |
447.505
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N5O/c1-14(2)15-3-6-18(7-4-15)31-11-17(12-31)30-21(32)10-27-22-19-9-16(23(24,25)26)5-8-20(19)28-13-29-22/h5,8-9,13,15,17-18H,1,3-4,6-7,10-12H2,2H3,(H,30,32)(H,27,28,29)/t15-,18+
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| InChIKey |
GFEVAFQMSYEYIO-RHNCMZPLSA-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