General Information of the Compound
| Compound ID |
CP0434135
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| Compound Name |
[4-[2-(4-tert-butylphenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C25H31N3O2/c1-25(2,3)20-8-10-21(11-9-20)30-17-16-27-12-14-28(15-13-27)24(29)23-18-19-6-4-5-7-22(19)26-23/h4-11,18,26H,12-17H2,1-3H3
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| InChIKey |
WIIDARSISDDYHB-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