General Information of the Compound
| Compound ID |
CP0580247
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| Compound Name |
4-[(1S)-1-[[2-[2-(6-methoxynaphthalen-2-yl)ethynyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C30H25NO5S
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| Molecular Weight |
511.599
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)C#Cc1sc2COCCc2c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H25NO5S/c1-18(20-6-8-21(9-7-20)30(33)34)31-29(32)28-25-13-14-36-17-27(25)37-26(28)12-4-19-3-5-23-16-24(35-2)11-10-22(23)15-19/h3,5-11,15-16,18H,13-14,17H2,1-2H3,(H,31,32)(H,33,34)/t18-/m0/s1
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| InChIKey |
KUUPPBMHNVAHSC-SFHVURJKSA-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