73T
Summary
| Name: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
| Synonyms: | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
| Formula: | C32 H30 F2 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 572.602 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
| OpenEye OEToolkits | 2.0.5 | (7~{S})-3-fluoranyl-4-[3-[8-fluoranyl-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-phenyl]-7-(2-oxidanylpropan-2-yl)-6,7,8,9-tetrahydro-5~{H}-carbazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C6c5c4c(c(C(N)=O)cc(c4c1cccc(c1C)N3C(=O)N(C)c2c(cccc2F)C3=O)F)nc5CC(C6)C(C)(O)C |
| InChI | InChI | 1.03 | InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | ZRYMMWAJAFUANM-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C(=O)c2cccc(F)c12)c3cccc(c3C)c4c(F)cc(C(N)=O)c5[nH]c6C[C@H](CCc6c45)C(C)(C)O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C(=O)c2cccc(F)c12)c3cccc(c3C)c4c(F)cc(C(N)=O)c5[nH]c6C[CH](CCc6c45)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)CC(CC6)C(C)(C)O)C(=O)N)F |
