General Information of the Compound
| Compound ID |
CP0514576
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| Compound Name |
(4-cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorophenoxy)pyridin-2-yl)methanone
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| Structure |
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| Formula |
C20H21Cl2N3O2
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| Molecular Weight |
406.313
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| Canonical SMILES |
Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CC2)cc1Cl
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| InChI |
InChI=1S/C20H21Cl2N3O2/c21-17-6-4-15(12-18(17)22)27-16-5-7-19(23-13-16)20(26)25-9-1-8-24(10-11-25)14-2-3-14/h4-7,12-14H,1-3,8-11H2
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| InChIKey |
UWZNQUISDQRGDR-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