General Information of the Compound
| Compound ID |
CP0238495
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| Compound Name |
3-[(6S,12R)-8-methyl-7,10,13-trioxo-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]propanoic acid
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| Structure |
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| Formula |
C24H36N4O6
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| Molecular Weight |
476.574
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C24H36N4O6/c1-3-7-19-24(33)28(2)16-21(29)27-18(11-12-22(30)31)23(32)26-13-6-9-17-8-4-5-10-20(17)34-15-14-25-19/h4-5,8,10,18-19,25H,3,6-7,9,11-16H2,1-2H3,(H,26,32)(H,27,29)(H,30,31)/t18-,19+/m1/s1
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| InChIKey |
QEUQKYZFOUSEAW-MOPGFXCFSA-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