General Information of the Compound
| Compound ID |
CP0447582
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| Compound Name |
[4-[6-ethyl-2-(3-hydroxypyrrolidin-1-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
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| Structure |
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| Formula |
C29H31N5O2S
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| Molecular Weight |
513.667
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| Canonical SMILES |
CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3
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| InChIKey |
CGXMHPZJBQGCMG-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