General Information of the Compound
| Compound ID |
CP0957646
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| Compound Name |
US9062048, 73
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| Structure |
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| Formula |
C27H30F3N5O2
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| Molecular Weight |
513.564
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| Canonical SMILES |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3CO)CC2)C1
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| InChI |
InChI=1S/C27H30F3N5O2/c28-27(29,30)19-7-10-24-23(11-19)26(33-16-32-24)31-12-25(37)34-20-13-35(14-20)21-8-5-17(6-9-21)22-4-2-1-3-18(22)15-36/h1-4,7,10-11,16-17,20-21,36H,5-6,8-9,12-15H2,(H,34,37)(H,31,32,33)
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| InChIKey |
GAWOHCNQRJSLFQ-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