General Information of the Compound
| Compound ID |
CP0881767
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| Compound Name |
4-[(E)-2-({[(3-{4-[Bis-(2-methoxy-ethyl)-amino]-2-methyl-quinolin-8-yloxymethyl}-2,4-dichloro-phenyl)-methyl-carbamoyl]-methyl}-carbamoyl)-vinyl]-N-methyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C37H45Cl6N5O6
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| Molecular Weight |
868.514
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(CCOC)CCOC)cc(C)nc34)c2Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C37H41Cl2N5O6.4ClH/c1-24-21-31(44(17-19-48-4)18-20-49-5)27-7-6-8-32(36(27)42-24)50-23-28-29(38)14-15-30(35(28)39)43(3)34(46)22-41-33(45)16-11-25-9-12-26(13-10-25)37(47)40-2;;;;/h6-16,21H,17-20,22-23H2,1-5H3,(H,40,47)(H,41,45);4*1H/b16-11+;;;;
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| InChIKey |
WFWNLQAZACBQEW-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