General Information of the Compound
| Compound ID |
CP0411297
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| Compound Name |
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]pentan-1-one
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| Structure |
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| Formula |
C24H27ClN2O
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| Molecular Weight |
394.946
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| Canonical SMILES |
CCCCC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C24H27ClN2O/c1-2-3-6-22(28)27-14-11-17(12-15-27)23-21-10-9-20(25)16-19(21)8-7-18-5-4-13-26-24(18)23/h4-5,9-10,13,16H,2-3,6-8,11-12,14-15H2,1H3
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| InChIKey |
XSNLDSYJHLYUGZ-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
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT06208, Sodium-dependent neutral amino acid transporter B(0)AT2