General Information of the Compound
| Compound ID |
CP0375829
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| Compound Name |
6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-N-[[(2S)-thian-2-yl]methyl]furo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C28H32N4O2S
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| Molecular Weight |
488.657
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1
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| InChI |
InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1
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| InChIKey |
ZUJAJGNSLCYVFZ-QHCPKHFHSA-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