General Information of the Compound
| Compound ID |
CP0373159
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| Compound Name |
(S)-1-(2-Cyanoethyl)-3-(4-(7,7-dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NCCC#N)cc1
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| InChI |
InChI=1S/C23H28N6O3/c1-15-13-31-12-11-29(15)21-18-14-32-23(2,3)19(18)27-20(28-21)16-5-7-17(8-6-16)26-22(30)25-10-4-9-24/h5-8,15H,4,10-14H2,1-3H3,(H2,25,26,30)/t15-/m0/s1
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| InChIKey |
MRSNNKTWHOYIHT-HNNXBMFYSA-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