General Information of the Compound
| Compound ID |
CP0256953
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| Compound Name |
1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C31H29N9S
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| Molecular Weight |
559.703
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| Canonical SMILES |
CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)n2ncc3c(N)ncnc23)cc1
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| InChI |
InChI=1S/C31H29N9S/c1-41-31-33-16-23-15-25(21-5-3-2-4-6-21)27(37-29(23)38-31)22-9-7-20(8-10-22)18-39-13-11-24(12-14-39)40-30-26(17-36-40)28(32)34-19-35-30/h2-10,15-17,19,24H,11-14,18H2,1H3,(H2,32,34,35)
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| InChIKey |
MAMNMVNADHVXSH-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