General Information of the Compound
| Compound ID |
CP0501002
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| Compound Name |
1-((3-morpholinopropyl)(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)amino)-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C33H41N5O3S
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| Molecular Weight |
587.79
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| Canonical SMILES |
OC(COc1ccccc1)CN(CCCN1CCOCC1)C1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C33H41N5O3S/c39-28(23-41-29-10-5-2-6-11-29)22-38(15-7-14-36-18-20-40-21-19-36)27-12-16-37(17-13-27)32-31-30(26-8-3-1-4-9-26)24-42-33(31)35-25-34-32/h1-6,8-11,24-25,27-28,39H,7,12-23H2
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| InChIKey |
XDCMRWRTIJGYBH-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