General Information of the Compound
| Compound ID |
CP0902376
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| Compound Name |
N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-4-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-phenyl)-isonicotinamide; Trihydrochloride
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| Structure |
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| Formula |
C39H37Cl3N6O5
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| Molecular Weight |
776.121
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| Canonical SMILES |
Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)c2n1.Cl
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| InChI |
InChI=1S/C39H36Cl2N6O5.ClH/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-28(10-7-26)45-39(50)27-14-16-42-17-15-27;/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,45,50);1H/b13-8+;
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| InChIKey |
NGMPZPUZKYDPPS-FNXZNAJJSA-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