General Information of the Compound
| Compound ID |
CP0962352
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| Compound Name |
US9187424, 243
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| Structure |
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| Formula |
C24H18F9N5O3
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| Molecular Weight |
595.422
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OC(F)(F)F)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C24H18F9N5O3/c25-22(26,27)10-1-11-40-15-8-4-14(5-9-15)21(23(28,29)30)12-17(18(20(39)34-21)19-35-37-38-36-19)13-2-6-16(7-3-13)41-24(31,32)33/h2-9H,1,10-12H2,(H,34,39)(H,35,36,37,38)
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| InChIKey |
LYKHUACLOJSQRF-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