General Information of the Compound
| Compound ID |
CP0393760
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| Compound Name |
4-[2-amino-4-(4-methylpiperazin-1-yl)quinazolin-8-yl]benzonitrile
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| Structure |
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| Formula |
C20H20N6
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| Molecular Weight |
344.422
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H20N6/c1-25-9-11-26(12-10-25)19-17-4-2-3-16(18(17)23-20(22)24-19)15-7-5-14(13-21)6-8-15/h2-8H,9-12H2,1H3,(H2,22,23,24)
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| InChIKey |
PTDJWQPNFNQWFW-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