General Information of the Compound
| Compound ID |
CP0912661
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| Compound Name |
SID87539863
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| Structure |
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| Formula |
C36H45F3N4O7S
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| Molecular Weight |
734.838
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
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| InChI |
InChI=1S/C36H45F3N4O7S/c1-24-21-43(25(2)23-44)34(45)31-20-29(41-51(47,48)30-11-6-5-7-12-30)17-18-32(31)50-26(3)10-8-9-19-49-33(24)22-42(4)35(46)40-28-15-13-27(14-16-28)36(37,38)39/h5-7,11-18,20,24-26,33,41,44H,8-10,19,21-23H2,1-4H3,(H,40,46)/t24-,25-,26-,33+/m1/s1
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| InChIKey |
RIWPGCWMYFCJEG-WCPDHXNLSA-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