General Information of the Compound
| Compound ID |
CP0562430
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| Compound Name |
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-isoquinolin-6-ylphenyl)methanone
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2cnccc2c1
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| InChI |
InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)8-9-24)18-3-1-17(2-4-18)19-5-6-21-16-25-10-7-20(21)15-19/h1-7,10,15-16,30H,8-9,11-14H2
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| InChIKey |
SEFIRGUYCMSQKT-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