General Information of the Compound
| Compound ID |
CP0515688
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| Compound Name |
4-(naphthalen-1-ylsulfonyl)-2-(4-phenethylpiperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C30H29N3O3S
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| Molecular Weight |
511.647
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| Canonical SMILES |
O=S(=O)(c1cccc2oc(nc12)N1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C30H29N3O3S/c34-37(35,27-16-6-13-24-12-4-5-14-25(24)27)28-17-7-15-26-29(28)31-30(36-26)33-21-19-32(20-22-33)18-8-11-23-9-2-1-3-10-23/h1-7,9-10,12-17H,8,11,18-22H2
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| InChIKey |
ZGRGKQLQMWTJIE-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