General Information of the Compound
| Compound ID |
CP0544605
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| Compound Name |
6-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[[(1S,2R)-2-methoxycyclobutyl]methyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C28H33N5O2
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| Molecular Weight |
471.605
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| Canonical SMILES |
CO[C@@H]1CC[C@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C28H33N5O2/c1-33(2)15-16-35-22-12-9-20(10-13-22)26-24(19-7-5-4-6-8-19)25-27(30-18-31-28(25)32-26)29-17-21-11-14-23(21)34-3/h4-10,12-13,18,21,23H,11,14-17H2,1-3H3,(H2,29,30,31,32)/t21-,23+/m0/s1
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| InChIKey |
IZQHOXWWRDCUSH-JTHBVZDNSA-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