General Information of the Compound
| Compound ID |
CP0495184
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| Compound Name |
1-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C27H32N6O4S
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| Molecular Weight |
536.658
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| Canonical SMILES |
COc1cc(ccc1Nc1nc(OC2CCN(CC2)C(=O)C=C)c2sccc2n1)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H32N6O4S/c1-4-24(35)33-10-7-20(8-11-33)37-26-25-22(9-16-38-25)29-27(30-26)28-21-6-5-19(17-23(21)36-3)32-14-12-31(13-15-32)18(2)34/h4-6,9,16-17,20H,1,7-8,10-15H2,2-3H3,(H,28,29,30)
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| InChIKey |
ZDDYRZMRFDFIBX-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