General Information of the Compound
| Compound ID |
CP0075592
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| Compound Name |
CHEMBL4457990
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| Formula |
C31H32F8N2O5S
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| Molecular Weight |
696.657
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| Canonical SMILES |
CCCN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O
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| InChI |
InChI=1S/C31H32F8N2O5S/c1-2-14-40-17-25-28(47(45,46)22-10-8-21(32)9-11-22,13-15-41(25)26(42)18-3-5-19(6-4-18)27(43)44)23-12-7-20(16-24(23)40)29(33,30(34,35)36)31(37,38)39/h7-12,16,18-19,25H,2-6,13-15,17H2,1H3,(H,43,44)/t18-,19-,25-,28-/m1/s1
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| InChIKey |
BTJFMVNGAMYMNQ-IBBOJXSKSA-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