SCH51866   Click here for help

GtoPdb Ligand ID: 5270

Synonyms: SCH 51866 | SCH-51866
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 67.97
Molecular weight 389.15
XLogP 5.94
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cn1c(=O)c2[nH]c(nc2n2c1=NC1C2CCC1)Cc1ccc(cc1)C(F)(F)F
Isomeric SMILES Cn1c(=O)c2[nH]c(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)C(F)(F)F
InChI InChI=1S/C19H18F3N5O/c1-26-17(28)15-16(27-13-4-2-3-12(13)23-18(26)27)25-14(24-15)9-10-5-7-11(8-6-10)19(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,24,25)/t12-,13+/m1/s1
InChI Key JOSMPBVYYKRYLG-OLZOCXBDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(11R,15S)-8-methyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,3,5,8,10-pentaazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-2(6),3,9-trien-7-one
Synonyms Click here for help
SCH 51866 | SCH-51866
Database Links Click here for help
CAS Registry No. 167298-74-0
ChEMBL Ligand CHEMBL1628659
GtoPdb PubChem SID 178101953
PubChem CID 15473392
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Wikipedia SCH-51866