General Information of the Compound
| Compound ID |
CP0378359
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| Compound Name |
1-(4-((S)-7-(2-(Dimethylamino)ethyl)-7-methyl-4-((S)-3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea
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| Structure |
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| Formula |
C25H36N6O3
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| Molecular Weight |
468.602
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCN(C)C)c(n1)N1CCOC[C@@H]1C
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| InChI |
InChI=1S/C25H36N6O3/c1-6-26-24(32)27-19-9-7-18(8-10-19)22-28-21-20(16-34-25(21,3)11-12-30(4)5)23(29-22)31-13-14-33-15-17(31)2/h7-10,17H,6,11-16H2,1-5H3,(H2,26,27,32)/t17-,25-/m0/s1
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| InChIKey |
YXCSOVNWVXUYBY-GKVSMKOHSA-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