General Information of the Compound
| Compound ID |
CP0224333
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| Compound Name |
4-[(E)-2-(3-chlorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C16H19ClN6
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| Molecular Weight |
330.823
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C16H19ClN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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| InChIKey |
PATVLDHTCBKUPZ-AATRIKPKSA-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: PT01711, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor