General Information of the Compound
| Compound ID |
CP0553905
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| Compound Name |
2-amino-4-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-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 |
C27H24Cl2N6O
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| Molecular Weight |
519.436
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| Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CC(C)(C)C2)c1cccnc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H24Cl2N6O/c1-15-22(25(29)35(33-15)17-8-6-16(28)7-9-17)23-19(13-30)26(31)34(18-5-4-10-32-14-18)20-11-27(2,3)12-21(36)24(20)23/h4-10,14,23H,11-12,31H2,1-3H3
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| InChIKey |
KSTOYLWWQRLKKR-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