General Information of the Compound
| Compound ID |
CP0847539
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| Compound Name |
(1R,5R)-7-[5-Methyl-6-(2-methyl-pyridin-3-yloxy)-pyrimidin-4-yloxy]-9-aza-tricyclo[3.3.1.0*2,4*]nonane-9-carboxylic acid isopropyl ester
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| Formula |
C23H28N4O4
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| Molecular Weight |
424.501
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3[C@H]4C[C@H]4[C@H](C2)N3C(=O)OC(C)C)c1C
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| InChI |
InChI=1S/C23H28N4O4/c1-12(2)29-23(28)27-18-8-15(9-19(27)17-10-16(17)18)30-21-13(3)22(26-11-25-21)31-20-6-5-7-24-14(20)4/h5-7,11-12,15-19H,8-10H2,1-4H3/t15-,16+,17-,18-,19+
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| InChIKey |
FWAAPZFDGYIRMI-BSHDOZJQSA-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