General Information of the Compound
| Compound ID |
CP0495823
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| Compound Name |
US9365558, 83
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| Structure |
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| Formula |
C26H28F6N4O5S
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| Molecular Weight |
622.588
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)c1ccn(n1)C1CC1
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| InChI |
InChI=1S/C26H28F6N4O5S/c1-42(39,40)35-23(38)21-19(20-11-13-36(34-20)17-7-8-17)15-24(26(30,31)32,33-22(21)37)16-5-9-18(10-6-16)41-14-4-2-3-12-25(27,28)29/h5-6,9-11,13,17H,2-4,7-8,12,14-15H2,1H3,(H,33,37)(H,35,38)/t24-/m0/s1
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| InChIKey |
NRBWLSMDNYKQHR-DEOSSOPVSA-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