D4C

7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

Created:	2019-06-21
Last modified:	2022-04-27

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1 entries where D4C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	21

2D diagram of D4C

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Chemical Component Summary
Name	7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Systematic Name (OpenEye OEToolkits)	7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula	C₁₇ H₁₄ F N₅
Molecular Weight	307.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2ccc3c2ccc4c3c(nc(n4)N)N)F
Canonical SMILES	CACTVS	3.385	Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)Cn2ccc3c2ccc4c3c(nc(n4)N)N)F
InChI	InChI	1.03	InChI=1S/C17H14FN5/c18-12-4-2-1-3-10(12)9-23-8-7-11-14(23)6-5-13-15(11)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)
InChIKey	InChI	1.03	HAPAUTSWUJUYGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	85934126

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