General Information of the Compound
| Compound ID |
CP0211539
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| Compound Name |
5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C28H27N7S2
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| Molecular Weight |
525.707
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| Canonical SMILES |
CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc(N)s2)cc1
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| InChI |
InChI=1S/C28H27N7S2/c1-36-28-30-16-22-15-23(19-5-3-2-4-6-19)24(31-25(22)32-28)20-9-7-18(8-10-20)17-35-13-11-21(12-14-35)26-33-34-27(29)37-26/h2-10,15-16,21H,11-14,17H2,1H3,(H2,29,34)
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| InChIKey |
BVMOTFUJGCIPKD-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