General Information of the Compound
| Compound ID |
CP0551766
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| Compound Name |
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-5-methoxy-1H-indole
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
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| InChI |
InChI=1S/C26H33N3O2/c1-30-23-8-9-25-24(18-23)21(19-27-25)5-2-3-11-28-12-14-29(15-13-28)22-7-10-26-20(17-22)6-4-16-31-26/h7-10,17-19,27H,2-6,11-16H2,1H3
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| InChIKey |
KFNBERZIJGZUQL-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