General Information of the Compound
| Compound ID |
CP0378133
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| Compound Name |
1-Ethyl-3-(4-((R)-7-(2-hydroxy-2-methylpropyl)-7-methyl-4-((S)-3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
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| Structure |
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| Formula |
C25H35N5O4
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| Molecular Weight |
469.586
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CC(C)(C)O)c(n1)N1CCOC[C@@H]1C
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| InChI |
InChI=1S/C25H35N5O4/c1-6-26-23(31)27-18-9-7-17(8-10-18)21-28-20-19(14-34-25(20,5)15-24(3,4)32)22(29-21)30-11-12-33-13-16(30)2/h7-10,16,32H,6,11-15H2,1-5H3,(H2,26,27,31)/t16-,25+/m0/s1
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| InChIKey |
MGIPTBOLCHDSDN-IVCQMTBJSA-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