General Information of the Compound
| Compound ID |
CP0450386
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| Compound Name |
N-(1-benzothiophen-2-ylmethyl)-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C22H22ClN5S
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| Molecular Weight |
423.973
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2cc3ccccc3s2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C22H22ClN5S/c1-27-8-10-28(11-9-27)22-25-19-7-6-16(23)13-18(19)21(26-22)24-14-17-12-15-4-2-3-5-20(15)29-17/h2-7,12-13H,8-11,14H2,1H3,(H,24,25,26)
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| InChIKey |
BBGGFNJGPUEVOH-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