General Information of the Compound
| Compound ID |
CP0460550
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| Compound Name |
(2S)-2-cyclopropyl-N-[(6S)-5,11-dioxospiro[3,6-dihydro-1H-pyrazolo[1,2-b][2,3]benzodiazepine-2,1'-cyclopropane]-6-yl]-N'-(5-fluoro-2-methylpyridin-3-yl)butanediamide
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| Structure |
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| Formula |
C27H28FN5O4
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| Molecular Weight |
505.55
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| Canonical SMILES |
Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O
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| InChI |
InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
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| InChIKey |
WLQXBRYTQYYCMW-REWPJTCUSA-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: PT00701, Signal peptide peptidase-like 2A
Protein ID: PT06790, Signal peptide peptidase-like 2A
Protein ID: PT05844, Signal peptide peptidase-like 2A
Protein ID: PT07475, Signal peptide peptidase-like 2B