General Information of the Compound
| Compound ID |
CP0446777
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| Compound Name |
3-(4-chlorobenzyl)-N-(2-(dimethylamino)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C20H21ClN4O2S
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| Molecular Weight |
416.934
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
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| InChI |
InChI=1S/C20H21ClN4O2S/c1-24(2)10-9-22-18(26)14-5-8-16-17(11-14)23-20(28)25(19(16)27)12-13-3-6-15(21)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,28)
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| InChIKey |
NIJFRYNRMDOHQG-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G