General Information of the Compound
| Compound ID |
CP0555187
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| Compound Name |
2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C27H25ClN6O
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| Molecular Weight |
484.991
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| Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CC(C)(C)C2)c1cccnc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25ClN6O/c1-16-22(25(28)34(32-16)17-8-5-4-6-9-17)23-19(14-29)26(30)33(18-10-7-11-31-15-18)20-12-27(2,3)13-21(35)24(20)23/h4-11,15,23H,12-13,30H2,1-3H3
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| InChIKey |
MAMUEOOYZSGSGW-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