General Information of the Compound
| Compound ID |
CP0334217
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| Compound Name |
2-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-4-[(E)-2-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethenyl]pyrrole
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| Structure |
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| Formula |
C31H36ClN
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| Molecular Weight |
458.089
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| Canonical SMILES |
Cc1ccc(Cn2cc(\C=C\[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1
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| InChI |
InChI=1S/C31H36ClN/c1-21-6-8-23(9-7-21)19-33-20-24(17-28(33)25-11-12-27(32)22(2)16-25)10-13-29-30(3,4)26-14-15-31(29,5)18-26/h6-13,16-17,20,26,29H,14-15,18-19H2,1-5H3/b13-10+/t26-,29-,31+/m1/s1
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| InChIKey |
YZRCLPAMLXGDJR-HJCWULCSSA-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