General Information of the Compound
| Compound ID |
CP0864954
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| Compound Name |
(5S,11R)-11-benzyl-5-isopropyl-7-methyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C28H38N4O4
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| Molecular Weight |
494.636
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| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C28H38N4O4/c1-20(2)26-28(35)32(3)19-25(33)31-23(18-21-10-5-4-6-11-21)27(34)30-15-9-13-22-12-7-8-14-24(22)36-17-16-29-26/h4-8,10-12,14,20,23,26,29H,9,13,15-19H2,1-3H3,(H,30,34)(H,31,33)/t23-,26+/m1/s1
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| InChIKey |
TTYHYAFANONXNY-BVAGGSTKSA-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