General Information of the Compound
| Compound ID |
CP0881764
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| Compound Name |
Acetic acid 6-aziridin-1-yl-7-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 |
C16H16N2O4
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| Molecular Weight |
300.314
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| Canonical SMILES |
CC(=O)OC1CCc2c1[nH]c1c2C(=O)C(C)=C(N2CC2)C1=O
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| InChI |
InChI=1S/C16H16N2O4/c1-7-14(18-5-6-18)16(21)13-11(15(7)20)9-3-4-10(12(9)17-13)22-8(2)19/h10,17H,3-6H2,1-2H3
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| InChIKey |
UOTSMBYMYVNAFJ-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