General Information of the Compound
| Compound ID |
CP0404894
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| Compound Name |
5-benzyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C19H17N5O3
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| Molecular Weight |
363.377
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| Canonical SMILES |
O=C(N[C@H]1COc2ccccc2NC1=O)c1n[nH]c(Cc2ccccc2)n1
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| InChI |
InChI=1S/C19H17N5O3/c25-18-14(11-27-15-9-5-4-8-13(15)20-18)21-19(26)17-22-16(23-24-17)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,25)(H,21,26)(H,22,23,24)/t14-/m0/s1
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| InChIKey |
SFSNCVAFJZNLIM-AWEZNQCLSA-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