General Information of the Compound
| Compound ID |
CP0505879
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| Compound Name |
1-((R)-2,3-Dihydroxypropyl)-3-(4-(7,7-dimethyl-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 |
C23H31N5O5
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| Molecular Weight |
457.531
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| Canonical SMILES |
C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NC[C@@H](O)CO)cc1
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| InChI |
InChI=1S/C23H31N5O5/c1-14-12-32-9-8-28(14)21-18-13-33-23(2,3)19(18)26-20(27-21)15-4-6-16(7-5-15)25-22(31)24-10-17(30)11-29/h4-7,14,17,29-30H,8-13H2,1-3H3,(H2,24,25,31)/t14-,17+/m0/s1
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| InChIKey |
CKXMXCVNUVLVAU-WMLDXEAASA-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