General Information of the Compound
| Compound ID |
CP0566579
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| Compound Name |
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C30H35ClN2O
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| Molecular Weight |
475.076
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| Canonical SMILES |
C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C
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| InChI |
InChI=1S/C30H35ClN2O/c1-18-6-8-21(9-7-18)16-33-17-23(13-28(33)22-10-11-26(31)19(2)12-22)29(34)32-27-15-24-14-25(20(27)3)30(24,4)5/h6-13,17,20,24-25,27H,14-16H2,1-5H3,(H,32,34)/t20-,24+,25-,27-/m1/s1
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| InChIKey |
ULNOOIPBDISLSP-GAIMPSMFSA-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