| PDB CCD ID: | 3ND |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H17 Cl2 N3 O2 |
| InChI: | InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-4,6-8,15-16,23H,5,9-10H2,(H,25,27)/t15-,16+/m0/s1 |
| InChIKey: | WWMMSIAGRVSGLG-JKSUJKDBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1cc(ccc1C2CNCC2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl | | ACDLabs 12.01 | O=C(Nc2cc1c(C(=O)N=CC1)cc2Cl)C4C(c3ccc(Cl)cc3)CNC4 | | OpenEye OEToolkits 1.7.0 | c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl | | CACTVS 3.370 | Clc1ccc(cc1)[CH]2CNC[CH]2C(=O)Nc3cc4CC=NC(=O)c4cc3Cl | | CACTVS 3.370 | Clc1ccc(cc1)[C@@H]2CNC[C@H]2C(=O)Nc3cc4CC=NC(=O)c4cc3Cl |
|
| Name: | (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide |
| ZINC: | ZINC000058638587 |
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