General Information of the Compound
| Compound ID |
CP0375827
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| Compound Name |
6-(4-methylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C24H24N4O3S
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| Molecular Weight |
448.548
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
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| InChI |
InChI=1S/C24H24N4O3S/c1-32(29,30)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t18-/m0/s1
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| InChIKey |
CVTCSZACUVUSGL-SFHVURJKSA-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: PT06503, Activated CDC42 kinase 1
Protein ID: PT01754, Activated CDC42 kinase 1