General Information of the Compound
| Compound ID |
CP0496731
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| Compound Name |
1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea
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| Structure |
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| Formula |
C21H36N6OS
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| Molecular Weight |
420.627
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)NC(C)C
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| InChI |
InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)25-17(2)3)13-10-8-11-14-29-20-18-15-24-26-19(18)22-16-23-20/h15-17H,4-14H2,1-3H3,(H,25,28)(H,22,23,24,26)
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| InChIKey |
DNPJFNNXWPDPOQ-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