General Information of the Compound
| Compound ID |
CP0165357
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| Compound Name |
CHEMBL4527982
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| Formula |
C30H30F8N2O5S
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| Molecular Weight |
682.63
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| Canonical SMILES |
CCN1C[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/C30H30F8N2O5S/c1-2-39-16-24-27(46(44,45)21-10-8-20(31)9-11-21,13-14-40(24)25(41)17-3-5-18(6-4-17)26(42)43)22-12-7-19(15-23(22)39)28(32,29(33,34)35)30(36,37)38/h7-12,15,17-18,24H,2-6,13-14,16H2,1H3,(H,42,43)/t17-,18-,24-,27-/m1/s1
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| InChIKey |
NXUBBEJNBJAHRO-BKNJMBQISA-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