General Information of the Compound
| Compound ID |
CP0509091
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| Compound Name |
2-amino-4-(7-chlorotetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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| Structure |
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| Formula |
C24H17ClN8O
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| Molecular Weight |
468.908
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| Canonical SMILES |
NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2cc(Cl)ccc2n2nnnc12
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| InChI |
InChI=1S/C24H17ClN8O/c25-14-6-7-18-13(9-14)10-16(24-29-30-31-33(18)24)21-17(11-26)23(27)32(15-3-2-8-28-12-15)19-4-1-5-20(34)22(19)21/h2-3,6-10,12,21H,1,4-5,27H2
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| InChIKey |
KEBDTWIJQBZJTD-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