General Information of the Compound
| Compound ID |
CP0297684
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| Compound Name |
(S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione
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| Structure |
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| Formula |
C22H21FN6O5S
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| Molecular Weight |
500.512
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| Canonical SMILES |
FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1
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| InChI |
InChI=1S/C22H21FN6O5S/c23-6-9-27-12-15(25-26-27)13-28-20-4-3-18(10-19(20)21(30)22(28)31)35(32,33)29-8-5-16(29)14-34-17-2-1-7-24-11-17/h1-4,7,10-12,16H,5-6,8-9,13-14H2/t16-/m0/s1
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| InChIKey |
QGTNZCUWEMSWQW-INIZCTEOSA-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