TC0

4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL

Created:	2012-09-26
Last modified:	2014-09-05

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1 entries where TC0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	23

2D diagram of TC0

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Chemical Component Summary
Name	4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL
Systematic Name (OpenEye OEToolkits)	4-[4-[3-[[4-[(cyclopropylamino)methyl]phenyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
Formula	C₂₅ H₂₄ N₄ O₂
Molecular Weight	412.484
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)CNC4CC4)cc5
SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)c2ccc(cc2)c3[nH]nc(Nc4ccc(CNC5CC5)cc4)c3
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(O)c1)c2ccc(cc2)c3[nH]nc(Nc4ccc(CNC5CC5)cc4)c3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O
InChI	InChI	1.03	InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
InChIKey	InChI	1.03	GRGYFHNWICGOLR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL241232
PubChem	135451019
ChEMBL	CHEMBL241232
ChEBI	CHEBI:95102

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