General Information of the Compound
| Compound ID |
CP0260065
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| Compound Name |
(6S,9R,12R)-12-benzyl-9-methyl-6-propyl-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 |
C28H38N4O4
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| Molecular Weight |
494.636
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O
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| InChI |
InChI=1S/C28H38N4O4/c1-3-10-23-28(35)31-20(2)26(33)32-24(19-21-11-5-4-6-12-21)27(34)30-16-9-14-22-13-7-8-15-25(22)36-18-17-29-23/h4-8,11-13,15,20,23-24,29H,3,9-10,14,16-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t20-,23+,24-/m1/s1
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| InChIKey |
LJTYTDRCLZRSMN-FGCOXFRFSA-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