General Information of the Compound
| Compound ID |
CP0438384
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| Compound Name |
(4-methylpiperazin-1-yl)-(4-nitro-1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C14H16N4O3
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| Molecular Weight |
288.307
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(cccc2[nH]1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H16N4O3/c1-16-5-7-17(8-6-16)14(19)12-9-10-11(15-12)3-2-4-13(10)18(20)21/h2-4,9,15H,5-8H2,1H3
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| InChIKey |
SSMKWEFTXHVXPN-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