General Information of the Compound
| Compound ID |
CP0233146
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| Compound Name |
1-ethyl-3-[4-[4-[(3S)-3-ethylmorpholin-4-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ccc2n1
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| InChI |
InChI=1S/C22H28N6O2/c1-4-17-14-30-13-12-28(17)21-19-18(10-11-27(19)3)25-20(26-21)15-6-8-16(9-7-15)24-22(29)23-5-2/h6-11,17H,4-5,12-14H2,1-3H3,(H2,23,24,29)/t17-/m0/s1
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| InChIKey |
UQQNCUSOTQLDEE-KRWDZBQOSA-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