General Information of the Compound
| Compound ID |
CP0918686
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| Compound Name |
3-{2-[6-Chloro-2-(4-methylpiperazin-1-yl)-quinazolin-4-amino]-ethyl}-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C18H21ClN6O2S
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| Molecular Weight |
420.926
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| Canonical SMILES |
CN1CCN(c2nc(NCCN3C(=O)CSC3=O)c3cc(Cl)ccc3n2)CC1
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| InChI |
InChI=1S/C18H21ClN6O2S/c1-23-6-8-24(9-7-23)17-21-14-3-2-12(19)10-13(14)16(22-17)20-4-5-25-15(26)11-28-18(25)27/h2-3,10H,4-9,11H2,1H3,(H,20,21,22)
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| InChIKey |
JCUJHXGSSHVHTO-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