General Information of the Compound
| Compound ID |
CP0449184
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| Compound Name |
(1-methylcyclopropyl) 6-[5-methoxy-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 |
C24H29N5O4
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| Molecular Weight |
451.527
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| Canonical SMILES |
COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C24H29N5O4/c1-14-19(5-4-8-25-14)32-22-20(31-3)21(26-13-27-22)28-15-9-17-11-16(28)12-18(10-15)29(17)23(30)33-24(2)6-7-24/h4-5,8,13,15-18H,6-7,9-12H2,1-3H3
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| InChIKey |
VGIOZQMDHCDIJC-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