General Information of the Compound
| Compound ID |
CP0874690
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| Compound Name |
ircinialactam A
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| Structure |
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| Formula |
C27H37NO6
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| Molecular Weight |
471.594
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| Canonical SMILES |
CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC2=CCN(CC(=O)O)C2=O)OC1=O
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| InChI |
InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30/h8,11,14,16,20,31H,5-7,9-10,12-13,15,17H2,1-4H3,(H,29,30)/b18-8+,19-11+,23-16-/t20-/m0/s1
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| InChIKey |
BIQICBSXLAWWPY-CHVWLSOJSA-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