Unii-H5khp6OQ62
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
Molecular Identity
Unii-H5khp6OQ62
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID: 16109663
2D Structure
Properties
C30H33Cl2F6N7O2
Molecular Formula
708.50
Molecular Weight
g/mol
707.1977
Exact Mass
Da
93.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
12
H-Bond Acceptors
977
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(C(CN1CC2=NNN=C2CN3CCOCC3)CC4=CNC5=CC=CC=C54)C(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.Cl.ClIsomeric SMILES
SMILES: C1CN([C@@H](CN1CC2=NNN=C2CN3CCOCC3)CC4=CNC5=CC=CC=C54)C(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.Cl.ClSynonyms(17)
UNII-H5KHP6OQ62SLV-317393183-40-9[3,5-Bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone;dihydrochlorideslv317H5KHP6OQ62orb2664246SCHEMBL5442305SCHEMBL29359223SLV 317QBQHUKKLUVZUBC-MQWQBNKOSA-NHY-19429AT89290Q27896039(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-((2R)-2-(1H-INDOL-3-YLMETHYL)-4-((5-(MORPHOLINOMETHYL)-2H-TRIAZOL-4-YL)METHYL)PIPERAZIN-1-YL)METHANONE HYDROCHLORIDE
Data from PubChem (NCBI)
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Drug Network
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