General Information of the Compound
| Compound ID |
CP0202839
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| Compound Name |
(2S)-2-(2-chlorophenyl)-2-(N-[2-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]acetyl]-3-fluoro-5-sulfamoylanilino)-N-(3,3-difluorocyclobutyl)acetamide
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| Structure |
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| Formula |
C30H26ClF3N6O5S
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| Molecular Weight |
675.089
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| Canonical SMILES |
NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
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| InChI |
InChI=1S/C30H26ClF3N6O5S/c31-24-4-2-1-3-23(24)28(29(43)38-19-14-30(33,34)15-19)40(21-10-18(32)11-22(12-21)46(36,44)45)27(42)13-20-5-6-26(41)39(20)25-9-17(16-35)7-8-37-25/h1-4,7-12,19-20,28H,5-6,13-15H2,(H,38,43)(H2,36,44,45)/t20-,28-/m0/s1
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| InChIKey |
SSAWNUASFIDLCA-MMTVBGGISA-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