General Information of the Compound
| Compound ID |
CP0498698
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| Compound Name |
(Z)-3-(1H-Indol-3-ylmethylene)-5-nitro-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C17H11N3O3
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| Molecular Weight |
305.293
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| Canonical SMILES |
[O-][N+](=O)c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
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| InChI |
InChI=1S/C17H11N3O3/c21-17-14(7-10-9-18-15-4-2-1-3-12(10)15)13-8-11(20(22)23)5-6-16(13)19-17/h1-9,18H,(H,19,21)/b14-7-
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| InChIKey |
WBRPPHJZABKGEK-AUWJEWJLSA-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