General Information of the Compound
| Compound ID |
CP0408802
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| Compound Name |
(2R)-N'-(5-fluoro-2-methylpyridin-3-yl)-N-[(6S)-10-fluoro-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]-2-methylbutanediamide
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| Structure |
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| Formula |
C23H25F2N5O3
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| Molecular Weight |
457.481
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| Canonical SMILES |
C[C@H](CC(=O)Nc1cc(F)cnc1C)C(=O)N[C@H]1c2cccc(F)c2CN2CCCN2C1=O
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| InChI |
InChI=1S/C23H25F2N5O3/c1-13(9-20(31)27-19-10-15(24)11-26-14(19)2)22(32)28-21-16-5-3-6-18(25)17(16)12-29-7-4-8-30(29)23(21)33/h3,5-6,10-11,13,21H,4,7-9,12H2,1-2H3,(H,27,31)(H,28,32)/t13-,21+/m1/s1
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| InChIKey |
ZNAKDMFILDGMFZ-ASSNKEHSSA-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
Protein ID: PT06790, Signal peptide peptidase-like 2A
Protein ID: PT05844, Signal peptide peptidase-like 2A