General Information of the Compound
| Compound ID |
CP0544599
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| Compound Name |
N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
C(Nc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1
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| InChI |
InChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1
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| InChIKey |
DWKOHZOFAQOTJK-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