General Information of the Compound
| Compound ID |
CP0447729
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| Compound Name |
6-chloro-N-(2-chlorophenethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C16H13Cl2N3
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| Molecular Weight |
318.207
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| Canonical SMILES |
Clc1ccc2ncnc(NCCc3ccccc3Cl)c2c1
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| InChI |
InChI=1S/C16H13Cl2N3/c17-12-5-6-15-13(9-12)16(21-10-20-15)19-8-7-11-3-1-2-4-14(11)18/h1-6,9-10H,7-8H2,(H,19,20,21)
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| InChIKey |
HPFVTHJYSIRMMR-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