General Information of the Compound
| Compound ID |
CP0517480
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| Compound Name |
US10300060, Example 15-105
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| Structure |
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| Formula |
C26H21F6N7O4S
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| Molecular Weight |
641.554
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(cnc2N)C(F)(F)F)nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F6N7O4S/c1-39(2)44(41,42)21-8-5-15(25(27,28)29)10-20(21)38-23(40)37-17-12-35-24(36-13-17)43-18-6-3-14(4-7-18)19-9-16(26(30,31)32)11-34-22(19)33/h3-13H,1-2H3,(H2,33,34)(H2,37,38,40)
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| InChIKey |
SVEGJHMWSORDBT-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