| PDB CCD ID: | 92S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H28 F N3 O |
| InChI: | 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: | HOIIHACBCFLJET-SFTDATJTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1CCN2c3c1cccc3C4C2CCN(C4)CCCC(=O)c5ccc(cc5)F | | OpenEye OEToolkits 2.0.7 | CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F | | CACTVS 3.385 | CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25 | | CACTVS 3.385 | CN1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c5cccc1c25 |
|
| 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;
lumateperone |
| ChEMBL: | CHEMBL3306803 |
| DrugBank: | DB06077 |
| ZINC: | ZINC000116262036 |
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