General Information of the Compound
| Compound ID |
CP0434907
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| Compound Name |
2-(4-methylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonyl)benzo[d]oxazole
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
CN1CCN(CC1)c1nc2c(cccc2o1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H21N3O3S/c1-24-12-14-25(15-13-24)22-23-21-18(28-22)9-5-11-20(21)29(26,27)19-10-4-7-16-6-2-3-8-17(16)19/h2-11H,12-15H2,1H3
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| InChIKey |
VRQZVFGHYLFLHY-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