General Information of the Compound
| Compound ID |
CP0671076
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| Compound Name |
2-Methyl-5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1Hindole
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| Structure |
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| Formula |
C14H15N3O2
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| Molecular Weight |
257.293
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| Canonical SMILES |
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1=CCNCC1
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| InChI |
InChI=1S/C14H15N3O2/c1-9-14(10-4-6-15-7-5-10)12-8-11(17(18)19)2-3-13(12)16-9/h2-4,8,15-16H,5-7H2,1H3
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| InChIKey |
BHGFZMQEWPXOSG-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