General Information of the Compound
| Compound ID |
CP0455943
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| Compound Name |
4-[3-[[4-methyl-5-(1-methylpyrrol-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C22H26F3N5OS
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| Molecular Weight |
465.545
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| Canonical SMILES |
Cn1cccc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C22H26F3N5OS/c1-28-10-3-5-18(28)20-26-27-21(29(20)2)32-14-4-11-30-12-13-31-19(15-30)16-6-8-17(9-7-16)22(23,24)25/h3,5-10,19H,4,11-15H2,1-2H3
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| InChIKey |
BLGOAHHKRXNKKY-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