General Information of the Compound
| Compound ID |
CP0913560
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| Compound Name |
(3R,9S)-3-Benzyl-7-methyl-9-propyl-1,4,7,10-tetraaza-cyclohexadec-13-yne-2,5,8-trione
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| Structure |
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| Formula |
C23H32N4O3
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| Molecular Weight |
412.534
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| Canonical SMILES |
CCC[C@@H]1NCCC#CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C23H32N4O3/c1-3-11-19-23(30)27(2)17-21(28)26-20(16-18-12-7-6-8-13-18)22(29)25-15-10-5-4-9-14-24-19/h6-8,12-13,19-20,24H,3,9-11,14-17H2,1-2H3,(H,25,29)(H,26,28)/t19-,20+/m0/s1
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| InChIKey |
PQWSYPYDDPZVFJ-VQTJNVASSA-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