General Information of the Compound
| Compound ID |
CP0108313
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C18H23N7OS
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| Molecular Weight |
385.497
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| Canonical SMILES |
COC[C@H]1CCCN1c1cc(Nc2nccs2)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C18H23N7OS/c1-12-9-13(2)25(23-12)17-20-15(21-18-19-6-8-27-18)10-16(22-17)24-7-4-5-14(24)11-26-3/h6,8-10,14H,4-5,7,11H2,1-3H3,(H,19,20,21,22)/t14-/m1/s1
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| InChIKey |
XDYKDWJFSMJUFV-CQSZACIVSA-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