General Information of the Compound
| Compound ID |
CP0533915
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| Compound Name |
2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol
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| Structure |
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| Formula |
C18H22N6O
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| Molecular Weight |
338.415
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| Canonical SMILES |
CC[C@@H](N)CNc1ccnc(n1)-c1cc(ccc1O)-c1cnn(C)c1
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| InChI |
InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1
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| InChIKey |
SCJXQZZYGYLKJG-CQSZACIVSA-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: PT01096, Serine/threonine-protein kinase D1
Protein ID: PT00953, Serine/threonine-protein kinase D2
Protein ID: PT01060, Serine/threonine-protein kinase D3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2200 nM
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LO
TS
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| CL000417 | LN-229 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 600 nM
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LI
LO
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