General Information of the Compound
| Compound ID |
CP0062330
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| Compound Name |
(4-amino-3,5-dichlorophenyl)(3-benzyl-3,6-diaza-bicyclo[3.2.1]octan-6-yl)methanone
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| Structure |
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| Formula |
C20H21Cl2N3O
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| Molecular Weight |
390.314
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| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)C(=O)N1CC2CC1CN(Cc1ccccc1)C2
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| InChI |
InChI=1S/C20H21Cl2N3O/c21-17-7-15(8-18(22)19(17)23)20(26)25-11-14-6-16(25)12-24(10-14)9-13-4-2-1-3-5-13/h1-5,7-8,14,16H,6,9-12,23H2
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| InChIKey |
KTVCMHBTZGVJNN-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