General Information of the Compound
| Compound ID |
CP0183102
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| Compound Name |
(E)-3-[6-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+
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| InChIKey |
VVYXHHKLSQVSJD-VQHVLOKHSA-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