General Information of the Compound
| Compound ID |
CP0123679
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| Compound Name |
[4-(3-chlorophenyl)phenyl]-(3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
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| Synonyms |
BDBM50052641
GTPL8520
PMID25037917C58
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| Structure |
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| Formula |
C23H21ClN4O
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| Molecular Weight |
404.901
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1
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| InChI |
InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2
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| InChIKey |
FNHAFYQTHUKPIU-UHFFFAOYSA-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
Clinical Information about the Compound