General Information of the Compound
| Compound ID |
CP0484663
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[2-methyl-4-(1-methylimidazol-2-yl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C27H27Cl2N5O4S
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| Molecular Weight |
588.517
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-c2nccn2C)c1Cl
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| InChI |
InChI=1S/C27H27Cl2N5O4S/c1-16-14-18(26-31-11-13-33(26)3)17-6-4-8-22(25(17)32-16)38-15-19-20(28)9-10-23(24(19)29)39(36,37)34-12-5-7-21(34)27(35)30-2/h4,6,8-11,13-14,21H,5,7,12,15H2,1-3H3,(H,30,35)/t21-/m0/s1
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| InChIKey |
QYBRWFNUYXVWGE-NRFANRHFSA-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