General Information of the Compound
| Compound ID |
CP0410506
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| Compound Name |
2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C36H43NO3S
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| Molecular Weight |
569.811
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
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| InChI |
InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
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| InChIKey |
WMVFGKBJSVBHEK-VBZLLIOFSA-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