General Information of the Compound
| Compound ID |
CP0565794
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| Compound Name |
US9365558, 48
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| Structure |
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| Formula |
C25H25F7N4O5S
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| Molecular Weight |
626.551
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| Canonical SMILES |
CCn1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C25H25F7N4O5S/c1-2-36-10-8-19(34-36)16-13-23(25(30,31)32,33-21(37)20(16)22(38)35-42(39,40)15-5-6-15)17-7-4-14(12-18(17)26)41-11-3-9-24(27,28)29/h4,7-8,10,12,15H,2-3,5-6,9,11,13H2,1H3,(H,33,37)(H,35,38)/t23-/m0/s1
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| InChIKey |
LFEHGGUGAIFUGK-QHCPKHFHSA-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