General Information of the Compound
| Compound ID |
CP0912230
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| Compound Name |
SID131411752
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| Structure |
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| Formula |
C34H45F6N3O5
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| Molecular Weight |
689.738
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C34H45F6N3O5/c1-22-18-43(23(2)21-44)32(46)28-17-27(41-31(45)14-15-33(35,36)37)12-13-29(28)48-24(3)7-5-6-16-47-30(22)20-42(4)19-25-8-10-26(11-9-25)34(38,39)40/h8-13,17,22-24,30,44H,5-7,14-16,18-21H2,1-4H3,(H,41,45)/t22-,23-,24+,30-/m1/s1
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| InChIKey |
QKQHOPFIEPLIHC-HTWFIQDWSA-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