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Summary Geometry Related PDB entries

92S

Summary

Name:	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Synonyms:	lumateperone
Formula:	C24 H28 F N3 O
Formal charge:	0
Formula weight:	393.497 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
InChIKey	InChI	1.06	HOIIHACBCFLJET-SFTDATJTSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c5cccc1c25
SMILES	CACTVS	3.385	CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN2c3c1cccc3C4C2CCN(C4)CCCC(=O)c5ccc(cc5)F

222415

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