General Information of the Compound
| Compound ID |
CP0463365
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| Compound Name |
(2R)-N'-(3,5-difluorophenyl)-2-methyl-N-[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]butanediamide
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| Structure |
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| Formula |
C23H24F2N4O3
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| Molecular Weight |
442.466
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| Canonical SMILES |
C[C@H](CC(=O)Nc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2CN2CCCN2C1=O
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| InChI |
InChI=1S/C23H24F2N4O3/c1-14(9-20(30)26-18-11-16(24)10-17(25)12-18)22(31)27-21-19-6-3-2-5-15(19)13-28-7-4-8-29(28)23(21)32/h2-3,5-6,10-12,14,21H,4,7-9,13H2,1H3,(H,26,30)(H,27,31)/t14-,21+/m1/s1
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| InChIKey |
MXWSDPOMLUXVHM-SZNDQCEHSA-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