General Information of the Compound
| Compound ID |
CP0431977
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| Compound Name |
5-benzyl-N-[(3S)-7,9-difluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C21H19F2N5O2
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| Molecular Weight |
411.412
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| Canonical SMILES |
CN1c2c(F)cc(F)cc2CC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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| InChI |
InChI=1S/C21H19F2N5O2/c1-28-18-13(10-14(22)11-15(18)23)7-8-16(21(28)30)24-20(29)19-25-17(26-27-19)9-12-5-3-2-4-6-12/h2-6,10-11,16H,7-9H2,1H3,(H,24,29)(H,25,26,27)/t16-/m0/s1
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| InChIKey |
IZUWBBOIWIRDOX-INIZCTEOSA-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