General Information of the Compound
| Compound ID |
CP0485055
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| Compound Name |
(5R,8R,11S)-11-[(methylamino)methyl]-8-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C30H40F3N5O4
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| Molecular Weight |
591.675
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| Canonical SMILES |
CNC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC1=O)C(C)C
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| InChI |
InChI=1S/C30H40F3N5O4/c1-19(2)26-29(41)37-24(18-34-3)27(39)36-13-7-10-21-9-4-5-12-25(21)42-15-14-35-23(28(40)38-26)17-20-8-6-11-22(16-20)30(31,32)33/h4-6,8-9,11-12,16,19,23-24,26,34-35H,7,10,13-15,17-18H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t23-,24+,26-/m1/s1
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| InChIKey |
UQUFTFPWPQCIJD-RMTZWNOUSA-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