General Information of the Compound
| Compound ID |
CP0380624
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| Compound Name |
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
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| InChI |
InChI=1S/C29H33N5O2/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-35-24)31-20-32-29(26)33-27(25)22-10-12-23(13-11-22)36-18-16-34-14-4-5-15-34/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H2,30,31,32,33)/t24-/m0/s1
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| InChIKey |
XXAHEYLYVXIYBY-DEOSSOPVSA-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