General Information of the Compound
| Compound ID |
CP0258288
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[4-(3-methylimidazol-4-yl)-2-propan-2-ylquinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H31Cl2N5O4S
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| Molecular Weight |
616.571
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)-c2cncn2C)c1Cl
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| InChI |
InChI=1S/C29H31Cl2N5O4S/c1-17(2)22-13-19(24-14-33-16-35(24)4)18-7-5-9-25(28(18)34-22)40-15-20-21(30)10-11-26(27(20)31)41(38,39)36-12-6-8-23(36)29(37)32-3/h5,7,9-11,13-14,16-17,23H,6,8,12,15H2,1-4H3,(H,32,37)/t23-/m0/s1
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| InChIKey |
LQMIVDIAZXZEPL-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