General Information of the Compound
| Compound ID |
CP0432205
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| Compound Name |
2-bromo-N-[[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]methyl]-4,5-dimethoxyaniline
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| Structure |
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| Formula |
C20H24BrClN2O3
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| Molecular Weight |
455.78
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| Canonical SMILES |
COc1cc(Br)c(NCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC
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| InChI |
InChI=1S/C20H24BrClN2O3/c1-24-7-6-14(12-24)27-18-8-13(4-5-16(18)22)11-23-17-10-20(26-3)19(25-2)9-15(17)21/h4-5,8-10,14,23H,6-7,11-12H2,1-3H3/t14-/m1/s1
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| InChIKey |
PBXQJBOPANVELY-CQSZACIVSA-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