General Information of the Compound
| Compound ID |
CP0402203
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| Compound Name |
3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-ylamino)propanoic acid
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| Structure |
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| Formula |
C28H29N5O3S
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| Molecular Weight |
515.639
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| Canonical SMILES |
CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)
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| InChIKey |
JIPKQZYNJJHJGL-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