General Information of the Compound
| Compound ID |
CP0470063
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| Compound Name |
(S)-1-ethyl-3-(4-(7-(2-hydroxyethyl)-7-methyl-4-morpholino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
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| Structure |
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| Formula |
C22H29N5O4
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| Molecular Weight |
427.505
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1CCOCC1
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| InChI |
InChI=1S/C22H29N5O4/c1-3-23-21(29)24-16-6-4-15(5-7-16)19-25-18-17(14-31-22(18,2)8-11-28)20(26-19)27-9-12-30-13-10-27/h4-7,28H,3,8-14H2,1-2H3,(H2,23,24,29)/t22-/m0/s1
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| InChIKey |
MMRPGKGGMCYSNW-QFIPXVFZSA-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