General Information of the Compound
| Compound ID |
CP0440633
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| Compound Name |
13-chloro-2-[1-(cyclobutylmethyl)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 |
C24H27ClN2
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| Molecular Weight |
378.947
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| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC3CCC3)CC2)c1
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| InChI |
InChI=1S/C24H27ClN2/c25-21-8-9-22-20(15-21)7-6-19-5-2-12-26-24(19)23(22)18-10-13-27(14-11-18)16-17-3-1-4-17/h2,5,8-9,12,15,17H,1,3-4,6-7,10-11,13-14,16H2
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| InChIKey |
ADAPNRFLBSSWHA-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