General Information of the Compound
| Compound ID |
CP0432362
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| Compound Name |
3-chloro-6-[4-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridazine
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| Structure |
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| Formula |
C23H29ClN4O
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| Molecular Weight |
412.965
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| Canonical SMILES |
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccc(Cl)nn1
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| InChI |
InChI=1S/C23H29ClN4O/c1-3-29-18-6-4-5-17(15-18)23(19-13-16(2)14-20(19)23)28-11-9-27(10-12-28)22-8-7-21(24)25-26-22/h4-8,15-16,19-20H,3,9-14H2,1-2H3
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| InChIKey |
ABMVPPVIAHIGQO-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