General Information of the Compound
| Compound ID |
CP0895729
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| Compound Name |
Acetic acid 4-acetyl-7-aziridin-1-yl-6-methyl-5,8-dioxo-1,2,3,4,5,8-hexahydro-cyclopenta[b]indol-3-yl ester
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| Structure |
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| Formula |
C18H18N2O5
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| Molecular Weight |
342.351
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| Canonical SMILES |
CC(=O)OC1CCc2c3c(n(C(C)=O)c21)C(=O)C(C)=C(N1CC1)C3=O
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| InChI |
InChI=1S/C18H18N2O5/c1-8-14(19-6-7-19)18(24)13-11-4-5-12(25-10(3)22)15(11)20(9(2)21)16(13)17(8)23/h12H,4-7H2,1-3H3
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| InChIKey |
PBZPCVHKUQXRLC-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