General Information of the Compound
| Compound ID |
CP0392039
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| Compound Name |
1-[3-[2-amino-4-(4-methylpiperazin-1-yl)quinazolin-7-yl]phenyl]ethanone
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C21H23N5O/c1-14(27)15-4-3-5-16(12-15)17-6-7-18-19(13-17)23-21(22)24-20(18)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)
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| InChIKey |
HBESLNGLGWHLLL-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