General Information of the Compound
| Compound ID |
CP0508922
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| Compound Name |
US9193726, 7
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| Structure |
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| Formula |
C24H22F4N4O3
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| Molecular Weight |
490.457
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3C[C@@H](F)[C@@H](O3)c3ccc(cc3)C(F)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C24H22F4N4O3/c1-14-11-31(13-29-14)19-6-7-20-22(33)30(8-9-32(20)23(19)34)12-17-10-18(25)21(35-17)15-2-4-16(5-3-15)24(26,27)28/h2-7,11,13,17-18,21H,8-10,12H2,1H3/t17-,18+,21-/m0/s1
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| InChIKey |
HHALZMAKFSSPFQ-UEXGIBASSA-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