General Information of the Compound
| Compound ID |
CP0562456
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| Compound Name |
US9365558, 66
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| Structure |
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| Formula |
C27H25F7N2O5S
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| Molecular Weight |
622.559
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C27H25F7N2O5S/c1-42(39,40)36-24(38)22-19(17-7-6-15-4-2-5-16(15)12-17)14-25(27(32,33)34,35-23(22)37)20-9-8-18(13-21(20)28)41-11-3-10-26(29,30)31/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,35,37)(H,36,38)/t25-/m0/s1
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| InChIKey |
LABBHBJVHHXTPS-VWLOTQADSA-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