General Information of the Compound
| Compound ID |
CP0577356
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| Compound Name |
5-[[2-(1-adamantyl)acetyl]amino]-N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C30H34N6O2
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| Molecular Weight |
510.642
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| Canonical SMILES |
Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C30H34N6O2/c1-18-5-6-24(34-27(37)15-30-12-19-7-20(13-30)9-21(8-19)14-30)11-26(18)28(38)35-25-16-32-29(33-17-25)36-23-4-2-3-22(31)10-23/h2-6,10-11,16-17,19-21H,7-9,12-15,31H2,1H3,(H,34,37)(H,35,38)(H,32,33,36)
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| InChIKey |
PYNRTYJUAIYHTF-UHFFFAOYSA-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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01308, Tyrosine-protein kinase BTK