General Information of the Compound
| Compound ID |
CP0261287
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| Compound Name |
3-[2-[4-(9-amino-5,6,7,8-tetrahydroacridin-1-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C28H30N6
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| Molecular Weight |
450.59
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| Canonical SMILES |
Nc1c2CCCCc2nc2cccc(N3CCN(CCc4c[nH]c5ccc(cc45)C#N)CC3)c12
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| InChI |
InChI=1S/C28H30N6/c29-17-19-8-9-23-22(16-19)20(18-31-23)10-11-33-12-14-34(15-13-33)26-7-3-6-25-27(26)28(30)21-4-1-2-5-24(21)32-25/h3,6-9,16,18,31H,1-2,4-5,10-15H2,(H2,30,32)
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| InChIKey |
KLYMURSGAZXARA-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