General Information of the Compound
| Compound ID |
CP0438856
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| Compound Name |
1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-nitro-1H-indole
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| Structure |
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| Formula |
C16H22N4O2
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| Molecular Weight |
302.378
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| Canonical SMILES |
CN1CCCN(CCn2ccc3ccc(cc23)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C16H22N4O2/c1-17-6-2-7-18(10-9-17)11-12-19-8-5-14-3-4-15(20(21)22)13-16(14)19/h3-5,8,13H,2,6-7,9-12H2,1H3
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| InChIKey |
QXEFBFBQNHPYFW-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