General Information of the Compound
| Compound ID |
CP0348513
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| Compound Name |
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzamide
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| Structure |
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| Formula |
C24H19Cl2FN2O2
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| Molecular Weight |
457.332
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| Canonical SMILES |
NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCCc2c1)C(=O)c1c(F)cccc1Cl
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| InChI |
InChI=1S/C24H19Cl2FN2O2/c25-18-9-7-16(23(28)30)13-17(18)14-8-10-21-15(12-14)4-1-2-11-29(21)24(31)22-19(26)5-3-6-20(22)27/h3,5-10,12-13H,1-2,4,11H2,(H2,28,30)
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| InChIKey |
FURKUIQVJAXHAH-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