General Information of the Compound
| Compound ID |
CP0574420
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| Compound Name |
6-(2,6-dichlorophenyl)-8-ethenyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C27H23Cl2N5O
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| Molecular Weight |
504.421
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| Canonical SMILES |
CN1Cc2cc(Nc3ncc4c(n3)c(C=C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
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| InChI |
InChI=1S/C27H23Cl2N5O/c1-3-16-14-34(24-21(28)5-4-6-22(24)29)25(35)19-12-30-26(32-23(16)19)31-18-7-8-20-17(11-18)13-33(2)15-27(20)9-10-27/h3-8,11-12,14H,1,9-10,13,15H2,2H3,(H,30,31,32)
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| InChIKey |
YHGQCXIIDLUJNK-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