General Information of the Compound
| Compound ID |
CP0302480
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| Compound Name |
2-N-(3-chlorophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H14ClN5
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| Molecular Weight |
347.809
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| Canonical SMILES |
Clc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1
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| InChI |
InChI=1S/C19H14ClN5/c20-14-5-3-6-15(11-14)24-19-21-9-8-18(25-19)23-16-10-13-4-1-2-7-17(13)22-12-16/h1-12H,(H2,21,23,24,25)
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| InChIKey |
AAHOZWNLWKBWNN-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