General Information of the Compound
| Compound ID |
CP0425702
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| Compound Name |
tert-butyl 6-[6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
Cc1ncccc1Oc1cc(ncn1)N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H29N5O3/c1-14-19(6-5-7-24-14)30-21-12-20(25-13-26-21)27-15-8-17-10-16(27)11-18(9-15)28(17)22(29)31-23(2,3)4/h5-7,12-13,15-18H,8-11H2,1-4H3
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| InChIKey |
XDURQOCJPFHYSI-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