General Information of the Compound
| Compound ID |
CP0479472
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| Compound Name |
N-[(3S)-1-[[3-bromo-4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methyl]pyrrolidin-3-yl]-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C22H24BrCl2N3O2
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| Molecular Weight |
513.263
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1
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| InChI |
InChI=1S/C22H24BrCl2N3O2/c23-18-9-14(1-4-21(18)30-17-5-7-26-11-17)12-28-8-6-16(13-28)27-22(29)15-2-3-19(24)20(25)10-15/h1-4,9-10,16-17,26H,5-8,11-13H2,(H,27,29)/t16-,17+/m0/s1
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| InChIKey |
QDPMXBCJIXLUQB-DLBZAZTESA-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