General Information of the Compound
| Compound ID |
CP0517711
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| Compound Name |
N-[1-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]azetidin-3-yl]-2-morpholin-4-ylacetamide
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| Structure |
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| Formula |
C32H40N8O2S
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| Molecular Weight |
600.793
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| Canonical SMILES |
CC(Nc1nc(C)nc2cnc(cc12)N1CC(C1)NC(=O)CN1CCOCC1)c1ccc(s1)-c1ccccc1CN(C)C
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| InChI |
InChI=1S/C32H40N8O2S/c1-21(28-9-10-29(43-28)25-8-6-5-7-23(25)17-38(3)4)34-32-26-15-30(33-16-27(26)35-22(2)36-32)40-18-24(19-40)37-31(41)20-39-11-13-42-14-12-39/h5-10,15-16,21,24H,11-14,17-20H2,1-4H3,(H,37,41)(H,34,35,36)
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| InChIKey |
SRLSKYFOIDUEKP-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