General Information of the Compound
| Compound ID |
CP0211540
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| Compound Name |
3-ethyl-1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]urea
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| Structure |
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| Formula |
C29H32N6OS
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| Molecular Weight |
512.683
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| Canonical SMILES |
CCNC(=O)NC1CCN(Cc2ccc(cc2)-c2nc3nc(SC)ncc3cc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C29H32N6OS/c1-3-30-28(36)32-24-13-15-35(16-14-24)19-20-9-11-22(12-10-20)26-25(21-7-5-4-6-8-21)17-23-18-31-29(37-2)34-27(23)33-26/h4-12,17-18,24H,3,13-16,19H2,1-2H3,(H2,30,32,36)
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| InChIKey |
HOMHJTJWACGWMP-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