General Information of the Compound
| Compound ID |
CP0493909
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| Compound Name |
4-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]piperazin-2-one
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| Structure |
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| Formula |
C27H31N7OS
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| Molecular Weight |
501.66
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| Canonical SMILES |
CC(Nc1nc(C)nc2cnc(cc12)N1CCNC(=O)C1)c1ccc(s1)-c1ccccc1CN(C)C
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| InChI |
InChI=1S/C27H31N7OS/c1-17(23-9-10-24(36-23)20-8-6-5-7-19(20)15-33(3)4)30-27-21-13-25(34-12-11-28-26(35)16-34)29-14-22(21)31-18(2)32-27/h5-10,13-14,17H,11-12,15-16H2,1-4H3,(H,28,35)(H,30,31,32)
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| InChIKey |
ASHSIYGEBRVONJ-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