General Information of the Compound
| Compound ID |
CP0516082
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| Compound Name |
N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C12H13N3O3
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| Molecular Weight |
247.254
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| Canonical SMILES |
CC(=O)NCCc1c[nH]c2ccc(cc12)[N+]([O-])=O
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| InChI |
InChI=1S/C12H13N3O3/c1-8(16)13-5-4-9-7-14-12-3-2-10(15(17)18)6-11(9)12/h2-3,6-7,14H,4-5H2,1H3,(H,13,16)
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| InChIKey |
PKDUVHDAPLRJMS-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