General Information of the Compound
| Compound ID |
CP0450071
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| Compound Name |
US8835470, 31
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| Structure |
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| Formula |
C24H19F3N4O6S
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| Molecular Weight |
548.499
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| Canonical SMILES |
OC(C(=O)NC1CCS(=O)(=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C24H19F3N4O6S/c25-24(26,27)17-18(13-4-2-1-3-5-13)30-36-20(17)23-29-21(31-37-23)15-8-6-14(7-9-15)19(32)22(33)28-16-10-11-38(34,35)12-16/h1-9,16,19,32H,10-12H2,(H,28,33)
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| InChIKey |
NEOLZYSSQSPIKF-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