General Information of the Compound
| Compound ID |
CP0333555
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| Compound Name |
(9R,12R,15S)-15-(4-amino-butyl)-9-(4-hydroxy-benzyl)-12-isopropyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
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| Structure |
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| Formula |
C31H43N5O5
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| Molecular Weight |
565.715
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CCCCN)NC1=O
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| InChI |
InChI=1S/C31H43N5O5/c1-21(2)28-31(40)35-25(10-5-6-16-32)29(38)34-17-7-9-23-8-3-4-11-27(23)41-19-18-33-26(30(39)36-28)20-22-12-14-24(37)15-13-22/h3-4,7-9,11-15,21,25-26,28,33,37H,5-6,10,16-20,32H2,1-2H3,(H,34,38)(H,35,40)(H,36,39)/b9-7+/t25-,26+,28+/m0/s1
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| InChIKey |
UGLQNSFGWCGECE-AWBUAIGWSA-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