General Information of the Compound
| Compound ID |
CP0452535
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| Compound Name |
2-(4-butylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonyl)benzo[d]oxazole
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| Structure |
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
CCCCN1CCN(CC1)c1nc2c(cccc2o1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H27N3O3S/c1-2-3-14-27-15-17-28(18-16-27)25-26-24-21(31-25)11-7-13-23(24)32(29,30)22-12-6-9-19-8-4-5-10-20(19)22/h4-13H,2-3,14-18H2,1H3
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| InChIKey |
SSPHHUZKUKGDFC-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