General Information of the Compound
| Compound ID |
CP0883295
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| Compound Name |
(5S,11R)-11-benzyl-5,7-dimethyl-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 |
C26H34N4O4
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| Molecular Weight |
466.582
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| Canonical SMILES |
C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C26H34N4O4/c1-19-26(33)30(2)18-24(31)29-22(17-20-9-4-3-5-10-20)25(32)28-14-8-12-21-11-6-7-13-23(21)34-16-15-27-19/h3-7,9-11,13,19,22,27H,8,12,14-18H2,1-2H3,(H,28,32)(H,29,31)/t19-,22+/m0/s1
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| InChIKey |
BNTNEKSWJYUGQI-SIKLNZKXSA-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