General Information of the Compound
| Compound ID |
CP0284750
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| Compound Name |
(6S,12R)-6,12-dibenzyl-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C32H38N4O4
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| Molecular Weight |
542.68
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| Canonical SMILES |
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C32H38N4O4/c1-36-23-30(37)35-27(21-24-11-4-2-5-12-24)31(38)34-18-10-16-26-15-8-9-17-29(26)40-20-19-33-28(32(36)39)22-25-13-6-3-7-14-25/h2-9,11-15,17,27-28,33H,10,16,18-23H2,1H3,(H,34,38)(H,35,37)/t27-,28+/m1/s1
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| InChIKey |
BZIKCOOHXAVETB-IZLXSDGUSA-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