General Information of the Compound
| Compound ID |
CP0487445
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-propan-2-ylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C28H29Cl2N5O4S
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| Molecular Weight |
602.544
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)-n2ccnc2)c1Cl
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| InChI |
InChI=1S/C28H29Cl2N5O4S/c1-17(2)21-14-23(34-13-11-32-16-34)18-6-4-8-24(27(18)33-21)39-15-19-20(29)9-10-25(26(19)30)40(37,38)35-12-5-7-22(35)28(36)31-3/h4,6,8-11,13-14,16-17,22H,5,7,12,15H2,1-3H3,(H,31,36)/t22-/m0/s1
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| InChIKey |
VOSYIEIWSKIGQB-QFIPXVFZSA-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