General Information of the Compound
| Compound ID |
CP0859312
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| Compound Name |
4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-1H-pyrrol-2-ylmethyl}-carbamoyl)-vinyl]-N,N-dimethyl-benzamide dihydrochloride
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| Structure |
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| Formula |
C37H36Cl6N6O3
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| Molecular Weight |
825.452
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| Canonical SMILES |
Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C37H32Cl2N6O3.4ClH/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3;;;;/h4-20,23H,21-22H2,1-3H3,(H,41,46);4*1H/b16-11+;;;;
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| InChIKey |
YEEXHSNZBXYDNX-UOZIDRHDSA-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