General Information of the Compound
| Compound ID |
CP0413734
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| Compound Name |
(1S,2S)-N-[[5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
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| Structure |
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| Formula |
C30H37ClN2
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| Molecular Weight |
461.093
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| Canonical SMILES |
Cc1ccc(Cn2cc(CN[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1
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| InChI |
InChI=1S/C30H37ClN2/c1-20-6-8-22(9-7-20)18-33-19-23(15-27(33)24-10-11-26(31)21(2)14-24)17-32-28-29(3,4)25-12-13-30(28,5)16-25/h6-11,14-15,19,25,28,32H,12-13,16-18H2,1-5H3/t25?,28-,30+/m1/s1
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| InChIKey |
ZAYMBAYTVPPQET-SQBNHKKPSA-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