General Information of the Compound
| Compound ID |
CP0856621
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| Compound Name |
SID85797502
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| Structure |
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| Formula |
C31H43F3N4O5
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| Molecular Weight |
608.702
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| Canonical SMILES |
C[C@H]1CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22-,28-/m0/s1
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| InChIKey |
GMYAYTAKTSTYEI-STFWXSJUSA-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