General Information of the Compound
| Compound ID |
CP0539868
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(2-methyl-4-pyridin-4-ylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C28H26Cl2N4O4S
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| Molecular Weight |
585.513
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-c2ccncc2)c1Cl
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| InChI |
InChI=1S/C28H26Cl2N4O4S/c1-17-15-20(18-10-12-32-13-11-18)19-5-3-7-24(27(19)33-17)38-16-21-22(29)8-9-25(26(21)30)39(36,37)34-14-4-6-23(34)28(35)31-2/h3,5,7-13,15,23H,4,6,14,16H2,1-2H3,(H,31,35)/t23-/m0/s1
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| InChIKey |
PSXHDFCAFYYZLH-QHCPKHFHSA-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