General Information of the Compound
| Compound ID |
CP0424082
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| Compound Name |
5-(cyclohexen-1-yl)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1C1=CCCCC1
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| InChI |
InChI=1S/C27H35N5O2/c1-32(2)14-16-34-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)31-25)28-17-22-9-6-15-33-22/h7,10-13,18,22H,3-6,8-9,14-17H2,1-2H3,(H2,28,29,30,31)/t22-/m0/s1
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| InChIKey |
HSQAIUJPDZYVTE-QFIPXVFZSA-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