General Information of the Compound
| Compound ID |
CP0562595
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| Compound Name |
(5R,8R,11S)-11-[(5-methyl-1H-1,2,3-triazol-1-yl)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 |
C32H40F3N7O4
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| Molecular Weight |
643.711
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2nncc2C)NC1=O
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| InChI |
InChI=1S/C32H40F3N7O4/c1-20(2)28-31(45)39-26(19-42-21(3)18-38-41-42)29(43)37-13-7-10-23-9-4-5-12-27(23)46-15-14-36-25(30(44)40-28)17-22-8-6-11-24(16-22)32(33,34)35/h4-6,8-9,11-12,16,18,20,25-26,28,36H,7,10,13-15,17,19H2,1-3H3,(H,37,43)(H,39,45)(H,40,44)/t25-,26+,28-/m1/s1
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| InChIKey |
RHMBCCONNACJFV-FULLSBAXSA-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