General Information of the Compound
| Compound ID |
CP0351063
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| Compound Name |
4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl naphthalene-2-carboxylate
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| Structure |
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| Formula |
C27H18N2O3S
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| Molecular Weight |
450.519
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| Canonical SMILES |
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H18N2O3S/c30-26(22-15-14-19-8-1-2-10-21(19)18-22)31-16-5-6-17-33-27-29-28-25(32-27)24-13-7-11-20-9-3-4-12-23(20)24/h1-4,7-15,18H,16-17H2
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| InChIKey |
HVPCZZNYFVJIQI-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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