General Information of the Compound
| Compound ID |
CP0561746
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| Compound Name |
13-chloro-2-(1-cyclohexylpiperidin-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 |
C25H29ClN2
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| Molecular Weight |
392.974
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| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C2CCCCC2)c1
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| InChI |
InChI=1S/C25H29ClN2/c26-21-10-11-23-20(17-21)9-8-19-5-4-14-27-25(19)24(23)18-12-15-28(16-13-18)22-6-2-1-3-7-22/h4-5,10-11,14,17,22H,1-3,6-9,12-13,15-16H2
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| InChIKey |
VFEJBKPJNVVNEU-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