General Information of the Compound
| Compound ID |
CP0084688
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| Compound Name |
(6S,12R)-6-(4-aminobutyl)-12-benzyl-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 |
C29H41N5O4
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| Molecular Weight |
523.678
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| Canonical SMILES |
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCCN)C1=O
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| InChI |
InChI=1S/C29H41N5O4/c1-34-21-27(35)33-25(20-22-10-3-2-4-11-22)28(36)32-17-9-13-23-12-5-6-15-26(23)38-19-18-31-24(29(34)37)14-7-8-16-30/h2-6,10-12,15,24-25,31H,7-9,13-14,16-21,30H2,1H3,(H,32,36)(H,33,35)/t24-,25+/m0/s1
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| InChIKey |
JHXHZLYNFQZEDP-LOSJGSFVSA-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