General Information of the Compound
| Compound ID |
CP0340458
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| Compound Name |
US9388171, I-21
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| Structure |
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| Formula |
C26H27FN6O3
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| Molecular Weight |
490.539
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| Canonical SMILES |
COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1
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| InChI |
InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1
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| InChIKey |
JAUXVEYDNKFQJQ-VWLOTQADSA-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