General Information of the Compound
| Compound ID |
CP0487243
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| Compound Name |
4-[amino-(2-chlorophenyl)methyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C18H14ClN5S
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| Molecular Weight |
367.865
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| Canonical SMILES |
NC(c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl
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| InChI |
InChI=1S/C18H14ClN5S/c19-14-8-4-3-7-13(14)16(20)15-10-25-18(22-15)23-17-12-6-2-1-5-11(12)9-21-24-17/h1-10,16H,20H2,(H,22,23,24)
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| InChIKey |
GCRYBPRWBPKFMF-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
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic