General Information of the Compound
| Compound ID |
CP0211538
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| Compound Name |
4-{3-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazol-5-yl}pyridine
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| Structure |
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| Formula |
C34H31N7S
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| Molecular Weight |
569.738
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| Canonical SMILES |
CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccncc2)cc1
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| InChI |
InChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40)
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| InChIKey |
HEJHZECVCFFTIH-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