General Information of the Compound
| Compound ID |
CP0558792
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| Compound Name |
(E)-3-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-hydroxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H29NO3
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| Molecular Weight |
439.555
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(CC2CC2)cc1)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C29H29NO3/c1-29(24-9-4-20(5-10-24)8-15-28(32)33)27-14-13-26(31)19-23(27)16-17-30(29)25-11-6-22(7-12-25)18-21-2-3-21/h4-15,19,21,31H,2-3,16-18H2,1H3,(H,32,33)/b15-8+
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| InChIKey |
KSWHTRKONJIAHV-OVCLIPMQSA-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