General Information of the Compound
| Compound ID |
CP0259273
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| Compound Name |
3-(4-chlorobenzyl)-7-(1-methylpiperazine-4-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
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| Structure |
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| Formula |
C21H21ClN4O2S
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| Molecular Weight |
428.945
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
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| InChI |
InChI=1S/C21H21ClN4O2S/c1-24-8-10-25(11-9-24)19(27)15-4-7-17-18(12-15)23-21(29)26(20(17)28)13-14-2-5-16(22)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,23,29)
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| InChIKey |
KZCCOJSSVNZXEE-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