General Information of the Compound
| Compound ID |
CP0401987
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| Compound Name |
2-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-N-methylquinazolin-4-amine
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| Structure |
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| Formula |
C13H16ClN5
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| Molecular Weight |
277.759
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| Canonical SMILES |
CNc1nc(nc2ccc(Cl)cc12)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C13H16ClN5/c1-16-12-10-6-8(14)2-3-11(10)17-13(18-12)19-5-4-9(15)7-19/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,17,18)/t9-/m0/s1
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| InChIKey |
CMOWYBWYCJHODO-VIFPVBQESA-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
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01711, Histamine H4 receptor