General Information of the Compound
| Compound ID |
CP0950342
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| Compound Name |
SID87543582
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| Structure |
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| Formula |
C33H35F6N5O5
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| Molecular Weight |
695.661
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C33H35F6N5O5/c1-19-16-44(20(2)18-45)29(46)15-21-14-26(41-30(47)40-24-8-4-22(5-9-24)32(34,35)36)12-13-27(21)49-28(19)17-43(3)31(48)42-25-10-6-23(7-11-25)33(37,38)39/h4-14,19-20,28,45H,15-18H2,1-3H3,(H,42,48)(H2,40,41,47)/t19-,20+,28+/m1/s1
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| InChIKey |
CTJXZOTYSLXCHS-HNPLUWAHSA-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