General Information of the Compound
Compound ID |
CP0553966
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Compound Name |
US10435369, Example 70
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Structure |
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Formula |
C30H31F8NO4S
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Molecular Weight |
653.632
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Canonical SMILES |
OC1(CNC(=O)[C@@H]2CC[C@@]3([C@H]2CCc2cc(ccc32)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)CCCCC1
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InChI |
InChI=1S/C30H31F8NO4S/c31-20-6-8-21(9-7-20)44(42,43)27-15-12-22(25(40)39-17-26(41)13-2-1-3-14-26)24(27)10-4-18-16-19(5-11-23(18)27)28(32,29(33,34)35)30(36,37)38/h5-9,11,16,22,24,41H,1-4,10,12-15,17H2,(H,39,40)/t22-,24+,27-/m1/s1
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InChIKey |
AOABHZKWEMDKAD-RWCIVJTCSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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