General Information of the Compound
| Compound ID |
CP0495325
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| Compound Name |
(3R)-4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m1/s1
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| InChIKey |
XMHSFTLIAYTIQQ-CYBMUJFWSA-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