General Information of the Compound
| Compound ID |
CP0944238
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| Compound Name |
4-(6-(Aminomethyl)pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide acetate
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| Structure |
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| Formula |
C18H24N6O3
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| Molecular Weight |
372.429
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| Canonical SMILES |
CC(=O)O.NCc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)ncn1
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| InChI |
InChI=1S/C16H20N6O.C2H4O2/c17-11-14-10-15(19-12-18-14)21-6-8-22(9-7-21)16(23)20-13-4-2-1-3-5-13;1-2(3)4/h1-5,10,12H,6-9,11,17H2,(H,20,23);1H3,(H,3,4)
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| InChIKey |
IDBNOZKGWUFDSQ-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