General Information of the Compound
| Compound ID |
CP0506389
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| Compound Name |
2-(4-cyclobutylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonyl)benzo[d]oxazole
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| Structure |
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| Formula |
C25H25N3O3S
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| Molecular Weight |
447.56
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| Canonical SMILES |
O=S(=O)(c1cccc2oc(nc12)N1CCN(CC1)C1CCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H25N3O3S/c29-32(30,22-12-3-7-18-6-1-2-10-20(18)22)23-13-5-11-21-24(23)26-25(31-21)28-16-14-27(15-17-28)19-8-4-9-19/h1-3,5-7,10-13,19H,4,8-9,14-17H2
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| InChIKey |
OQLBUNURUSUBQN-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