General Information of the Compound
| Compound ID |
CP0534279
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| Compound Name |
13-chloro-2-[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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| Structure |
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| Formula |
C25H24ClN3
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| Molecular Weight |
401.941
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| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(Cc3ccncc3)CC2)c1
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| InChI |
InChI=1S/C25H24ClN3/c26-22-5-6-23-21(16-22)4-3-20-2-1-11-28-25(20)24(23)19-9-14-29(15-10-19)17-18-7-12-27-13-8-18/h1-2,5-8,11-13,16H,3-4,9-10,14-15,17H2
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| InChIKey |
DPLBHZUJBZSUAV-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