General Information of the Compound
| Compound ID |
CP0411221
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| Compound Name |
ethyl 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H26ClN5O3
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| Molecular Weight |
503.99
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C27H26ClN5O3/c1-3-36-27(35)24-23(21-16(2)31-33(25(21)28)17-9-5-4-6-10-17)22-19(12-7-13-20(22)34)32(26(24)29)18-11-8-14-30-15-18/h4-6,8-11,14-15,23H,3,7,12-13,29H2,1-2H3
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| InChIKey |
RMCDNDMDWYIRLC-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