General Information of the Compound
| Compound ID |
CP0159608
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| Compound Name |
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C26H32N4O2
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| Molecular Weight |
432.568
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| Canonical SMILES |
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
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| InChI |
InChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
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| InChIKey |
ZOTMPHLOFULIPB-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