General Information of the Compound
| Compound ID |
CP0857274
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| Compound Name |
4-((2-((4-((4-Hydroxybenzyl)amino)cyclohexyl)amino)thieno[3,2-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
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| Structure |
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| Formula |
C28H29N5O2S
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| Molecular Weight |
499.64
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3ccc(O)cc3)CC2)nc2ccsc12
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| InChI |
InChI=1S/C28H29N5O2S/c1-17-13-20(15-29)14-18(2)25(17)35-27-26-24(11-12-36-26)32-28(33-27)31-22-7-5-21(6-8-22)30-16-19-3-9-23(34)10-4-19/h3-4,9-14,21-22,30,34H,5-8,16H2,1-2H3,(H,31,32,33)
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| InChIKey |
BPJIALFVYJUWEX-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