General Information of the Compound
| Compound ID |
CP0401822
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| Compound Name |
N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H23N5O2S
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| Molecular Weight |
397.504
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| Canonical SMILES |
CSc1ncc(C(=O)NCCc2c[nH]c3ccccc23)c(n1)N1CCOCC1
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| InChI |
InChI=1S/C20H23N5O2S/c1-28-20-23-13-16(18(24-20)25-8-10-27-11-9-25)19(26)21-7-6-14-12-22-17-5-3-2-4-15(14)17/h2-5,12-13,22H,6-11H2,1H3,(H,21,26)
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| InChIKey |
DRHWILWCGVVNNS-UHFFFAOYSA-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