General Information of the Compound
| Compound ID |
CP0373173
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
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| Synonyms |
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
167838-64-4
3-(6-acetamidopyridin-3-yl)-N-(2-((2,4-dichloro-3-((2-methylquinolin-8-yloxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)acrylamide
AC1NSK08
BDBM50067301
CHEMBL130517
FK 3657
FK-3657
FR 173657
FR-173657
FR173657
GTPL674
L015626
SCHEMBL1559539
SCHEMBL3718364
XCKWRUGRUFVXGC-NTEUORMPSA-N
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| Structure |
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| Formula |
C30H27Cl2N5O4
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| Molecular Weight |
592.483
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
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| InChI |
InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
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| InChIKey |
XCKWRUGRUFVXGC-NTEUORMPSA-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
Clinical Information about the Compound