General Information of the Compound
| Compound ID |
CP0455310
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| Compound Name |
1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C31H34N6O2S
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| Molecular Weight |
554.72
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| Canonical SMILES |
CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
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| InChIKey |
RELFXEUMVFQERP-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