General Information of the Compound
| Compound ID |
CP0386159
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| Compound Name |
tert-butyl 6-[5-methyl-6-[4-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
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| Structure |
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| Formula |
C27H33N7O3
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| Molecular Weight |
503.607
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| Canonical SMILES |
Cc1ncn(n1)-c1ccc(Oc2ncnc(N3C4CC5CC3CC(C4)N5C(=O)OC(C)(C)C)c2C)cc1
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| InChI |
InChI=1S/C27H33N7O3/c1-16-24(28-14-29-25(16)36-23-8-6-18(7-9-23)32-15-30-17(2)31-32)33-19-10-21-12-20(33)13-22(11-19)34(21)26(35)37-27(3,4)5/h6-9,14-15,19-22H,10-13H2,1-5H3
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| InChIKey |
OLHPKUPQTKGJTN-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