General Information of the Compound
| Compound ID |
CP0902762
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| Compound Name |
(5S,8R,11R)-8-(4-aminobutyl)-11-benzyl-5-propyl-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 |
C31H45N5O4
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| Molecular Weight |
551.732
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O
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| InChI |
InChI=1S/C31H45N5O4/c1-2-11-25-30(38)35-26(16-8-9-18-32)31(39)36-27(22-23-12-4-3-5-13-23)29(37)34-19-10-15-24-14-6-7-17-28(24)40-21-20-33-25/h3-7,12-14,17,25-27,33H,2,8-11,15-16,18-22,32H2,1H3,(H,34,37)(H,35,38)(H,36,39)/t25-,26+,27+/m0/s1
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| InChIKey |
YIZNCHAHHQHJLJ-OYUWMTPXSA-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