General Information of the Compound
| Compound ID |
CP0484662
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[2-propan-2-yl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C26H26Cl2F3N3O4S
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| Molecular Weight |
604.478
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C26H26Cl2F3N3O4S/c1-14(2)19-12-17(26(29,30)31)15-6-4-8-21(24(15)33-19)38-13-16-18(27)9-10-22(23(16)28)39(36,37)34-11-5-7-20(34)25(35)32-3/h4,6,8-10,12,14,20H,5,7,11,13H2,1-3H3,(H,32,35)/t20-/m0/s1
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| InChIKey |
DGYIAFQHXWQVNC-FQEVSTJZSA-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