General Information of the Compound
| Compound ID |
CP0505542
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| Compound Name |
N-[2-(4-naphthalen-1-ylpiperazin-1-yl)-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C25H24N4O3S
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| Molecular Weight |
460.559
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| Canonical SMILES |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H24N4O3S/c30-25(18-27-33(31,32)24-10-4-7-20-17-26-12-11-22(20)24)29-15-13-28(14-16-29)23-9-3-6-19-5-1-2-8-21(19)23/h1-12,17,27H,13-16,18H2
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| InChIKey |
QZBNILKTCYTYGS-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