General Information of the Compound
| Compound ID |
CP0206520
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| Compound Name |
4-(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthalen-2-ylethynyl)-benzoic acid
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| Structure |
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| Formula |
C25H20O2S
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| Molecular Weight |
384.5
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| Canonical SMILES |
CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)
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| InChIKey |
CSXNWQRUNINKML-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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