General Information of the Compound
| Compound ID |
CP0943439
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| Compound Name |
4-(4-chloro-3-(4-methylpiperazine-1-carbonyl)benzylamino)quinazoline-6-carbonitrile
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| Formula |
C22H21ClN6O
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| Molecular Weight |
420.904
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| Canonical SMILES |
CN1CCN(C(=O)c2cc(CNc3ncnc4ccc(C#N)cc34)ccc2Cl)CC1
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| InChI |
InChI=1S/C22H21ClN6O/c1-28-6-8-29(9-7-28)22(30)17-11-16(2-4-19(17)23)13-25-21-18-10-15(12-24)3-5-20(18)26-14-27-21/h2-5,10-11,14H,6-9,13H2,1H3,(H,25,26,27)
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| InChIKey |
JSSYZKAZZDYQJE-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