General Information of the Compound
| Compound ID |
CP0907224
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| Compound Name |
SID131411973
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| Structure |
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| Formula |
C36H44F3N5O6
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| Molecular Weight |
699.771
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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(NC(=O)c3ccncc3)ccc2O1
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| InChI |
InChI=1S/C36H44F3N5O6/c1-23-20-44(24(2)22-45)34(47)30-19-29(41-33(46)26-14-16-40-17-15-26)12-13-31(30)50-25(3)7-5-6-18-49-32(23)21-43(4)35(48)42-28-10-8-27(9-11-28)36(37,38)39/h8-17,19,23-25,32,45H,5-7,18,20-22H2,1-4H3,(H,41,46)(H,42,48)/t23-,24-,25-,32+/m0/s1
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| InChIKey |
ZGQIYHLNHANHNR-RVMAYGNISA-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