General Information of the Compound
| Compound ID |
CP0481547
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| Compound Name |
(2R)-N-[(6S)-5,11-dioxo-1,2,3,6-tetrahydropyrazolo[1,2-b][2,3]benzodiazepin-6-yl]-N'-(5-fluoro-2-methylpyridin-3-yl)-2-methylbutanediamide
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| Structure |
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| Formula |
C23H24FN5O4
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| Molecular Weight |
453.474
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| Canonical SMILES |
C[C@H](CC(=O)Nc1cc(F)cnc1C)C(=O)N[C@H]1c2ccccc2C(=O)N2CCCN2C1=O
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| InChI |
InChI=1S/C23H24FN5O4/c1-13(10-19(30)26-18-11-15(24)12-25-14(18)2)21(31)27-20-16-6-3-4-7-17(16)22(32)28-8-5-9-29(28)23(20)33/h3-4,6-7,11-13,20H,5,8-10H2,1-2H3,(H,26,30)(H,27,31)/t13-,20+/m1/s1
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| InChIKey |
KFRVGSRELWKTBM-XCLFUZPHSA-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