General Information of the Compound
| Compound ID |
CP0540113
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| Compound Name |
US10435369, Example 73
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| Structure |
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| Formula |
C27H25F8NO4S
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| Molecular Weight |
611.551
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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)CC1
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| InChI |
InChI=1S/C27H25F8NO4S/c28-17-3-5-18(6-4-17)41(39,40)24-10-9-19(22(37)36-14-23(38)11-12-23)21(24)7-1-15-13-16(2-8-20(15)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,13,19,21,38H,1,7,9-12,14H2,(H,36,37)/t19-,21+,24-/m1/s1
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| InChIKey |
CKLLZSBEJCDVBN-NHCICSSKSA-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