General Information of the Compound
| Compound ID |
CP0429337
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| Compound Name |
(5-chloro-3-ethyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H22ClN3O/c1-2-17-18-14-15(22)8-9-19(18)23-20(17)21(26)25-12-10-24(11-13-25)16-6-4-3-5-7-16/h3-9,14,23H,2,10-13H2,1H3
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| InChIKey |
IMMJKXDQRLJWTD-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