General Information of the Compound
| Compound ID |
CP0548565
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| Compound Name |
[4-(3-chlorophenyl)phenyl]-(5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
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| Structure |
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| Formula |
C22H19ClN4O
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| Molecular Weight |
390.874
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CC1CN2c1ncccn1
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| InChI |
InChI=1S/C22H19ClN4O/c23-18-4-1-3-17(11-18)15-5-7-16(8-6-15)21(28)26-13-20-12-19(26)14-27(20)22-24-9-2-10-25-22/h1-11,19-20H,12-14H2
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| InChIKey |
AENWJYFHGDVCMH-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