General Information of the Compound
| Compound ID |
CP0920566
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| Compound Name |
US9062048, 28
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| Structure |
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| Formula |
C25H30F3N5O2
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| Molecular Weight |
489.542
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| Canonical SMILES |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3(O)CC=CC3)CC2)C1
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| InChI |
InChI=1S/C25H30F3N5O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(34)32-18-13-33(14-18)19-6-3-16(4-7-19)24(35)9-1-2-10-24/h1-2,5,8,11,15-16,18-19,35H,3-4,6-7,9-10,12-14H2,(H,32,34)(H,29,30,31)
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| InChIKey |
KMQAFUVIYPPUCI-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