General Information of the Compound
| Compound ID |
CP0535846
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| Compound Name |
13-chloro-2-[1-[(4-methylpyridin-3-yl)methyl]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 |
C26H26ClN3
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| Molecular Weight |
415.968
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| Canonical SMILES |
Cc1ccncc1CN1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C26H26ClN3/c1-18-8-12-28-16-22(18)17-30-13-9-19(10-14-30)25-24-7-6-23(27)15-21(24)5-4-20-3-2-11-29-26(20)25/h2-3,6-8,11-12,15-16H,4-5,9-10,13-14,17H2,1H3
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| InChIKey |
XPQNTXBVLBUXAM-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