General Information of the Compound
| Compound ID |
CP0449969
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| Compound Name |
US9181182, 36
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| Structure |
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| Formula |
C27H25F3N4O3
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| Molecular Weight |
510.516
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| Canonical SMILES |
NC(CO)(CO)CN1CCc2c1cccc2-c1noc(n1)-c1ccc(cc1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N4O3/c28-27(29,30)22-6-2-1-4-19(22)17-8-10-18(11-9-17)25-32-24(33-37-25)21-5-3-7-23-20(21)12-13-34(23)14-26(31,15-35)16-36/h1-11,35-36H,12-16,31H2
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| InChIKey |
QGNQCYGGAIHINC-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