General Information of the Compound
| Compound ID |
CP0494698
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| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylquinazolin-2-amine
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| Structure |
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| Formula |
C20H21ClN4
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| Molecular Weight |
352.869
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| Canonical SMILES |
Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1
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| InChI |
InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)11-12-22-20-23-18-6-2-1-5-17(18)19(24-20)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H,22,23,24)
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| InChIKey |
ZTBYGHFCCRICRF-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