General Information of the Compound
| Compound ID |
CP0571848
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| Compound Name |
4,6-dimethoxy-N-[3-(6-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
COc1cc(OC)nc(NCCCn2c3CCCCc3c3cc(ccc23)S(C)(=O)=O)n1
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| InChI |
InChI=1S/C22H28N4O4S/c1-29-20-14-21(30-2)25-22(24-20)23-11-6-12-26-18-8-5-4-7-16(18)17-13-15(31(3,27)28)9-10-19(17)26/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,23,24,25)
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| InChIKey |
UJNQSDZDELYKRE-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