General Information of the Compound
| Compound ID |
CP0933804
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| Compound Name |
SID85805612
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| Structure |
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| Formula |
C36H45F3N4O5
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| Molecular Weight |
670.773
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C36H45F3N4O5/c1-24-20-43(25(2)23-44)35(46)31-19-30(41-34(45)28-14-16-40-17-15-28)12-13-32(31)48-26(3)7-5-6-18-47-33(24)22-42(4)21-27-8-10-29(11-9-27)36(37,38)39/h8-17,19,24-26,33,44H,5-7,18,20-23H2,1-4H3,(H,41,45)/t24-,25-,26+,33+/m1/s1
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| InChIKey |
ULSHRNFHFOMVNH-DWAIMSSFSA-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