General Information of the Compound
| Compound ID |
CP0473676
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| Compound Name |
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C16H21N3O2
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| Molecular Weight |
287.363
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| Canonical SMILES |
Cc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C16H21N3O2/c1-12-2-3-14-13(10-12)11-15(17-14)16(21)19-6-4-18(5-7-19)8-9-20/h2-3,10-11,17,20H,4-9H2,1H3
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| InChIKey |
YJTVAKJDQNOIFT-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