General Information of the Compound
| Compound ID |
CP0472981
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| Compound Name |
1H-indol-2-yl-[4-[3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COc1ccc(OCCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C23H27N3O3/c1-28-19-7-9-20(10-8-19)29-16-4-11-25-12-14-26(15-13-25)23(27)22-17-18-5-2-3-6-21(18)24-22/h2-3,5-10,17,24H,4,11-16H2,1H3
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| InChIKey |
OCFAISWIUDZBGF-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