General Information of the Compound
| Compound ID |
CP0903690
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| Compound Name |
3-benzyl-9-sec-butyl-6,7-dimethyl-1,4,7,10-tetraazacyclooctadecane-2,5,8-trione
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| Structure |
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| Formula |
C27H44N4O3
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| Molecular Weight |
472.674
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| Canonical SMILES |
CCC(C)C1NCCCCCCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O
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| InChI |
InChI=1S/C27H44N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h10-12,15-16,20-21,23-24,28H,5-9,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)
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| InChIKey |
RDONEVHLXOBAHH-UHFFFAOYSA-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