General Information of the Compound
| Compound ID |
CP0416245
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| Compound Name |
6-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[[(1R,2R)-2-methoxycyclopentyl]methyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C29H35N5O2
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| Molecular Weight |
485.632
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| Canonical SMILES |
CO[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C29H35N5O2/c1-34(2)16-17-36-23-14-12-21(13-15-23)27-25(20-8-5-4-6-9-20)26-28(31-19-32-29(26)33-27)30-18-22-10-7-11-24(22)35-3/h4-6,8-9,12-15,19,22,24H,7,10-11,16-18H2,1-3H3,(H2,30,31,32,33)/t22-,24-/m1/s1
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| InChIKey |
KKSRNTGKGARSOI-ISKFKSNPSA-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