General Information of the Compound
| Compound ID |
CP0382276
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| Compound Name |
ethyl 2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
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| Structure |
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| Formula |
C30H32ClN5O3
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| Molecular Weight |
546.071
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CC(C)(C)C2)c1cccnc1
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| InChI |
InChI=1S/C30H32ClN5O3/c1-6-39-29(38)26-25(23-18(3)34-36(27(23)31)19-11-9-17(2)10-12-19)24-21(14-30(4,5)15-22(24)37)35(28(26)32)20-8-7-13-33-16-20/h7-13,16,25H,6,14-15,32H2,1-5H3
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| InChIKey |
PKTZZIDFUAYFJQ-UHFFFAOYSA-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