General Information of the Compound
| Compound ID |
CP0575632
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| Compound Name |
US9062048, 62
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| Formula |
C25H27F3N6O3S
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| Molecular Weight |
548.591
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| Canonical SMILES |
NC(=O)c1cc(NCC(=O)NC2CN(C2)[C@H]2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6O3S/c26-25(27,28)14-1-2-18-17(7-14)19(8-20(33-18)23(29)36)31-10-22(35)32-15-11-34(12-15)16-3-5-24(37,6-4-16)21-9-30-13-38-21/h1-2,7-9,13,15-16,37H,3-6,10-12H2,(H2,29,36)(H,31,33)(H,32,35)/t16-,24-
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| InChIKey |
KESVDEKVAAFIAK-BCTVQRCUSA-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