Compound Summary (CID 477756) |
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  Compound Information CID 477756 Create Date: 2005-08-01 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 638.79402 [g/mol] | | Molecular Formula | | C33H38N2O7S2 | | XLogP3-AA | | 6 | | H-Bond Donor | | 4 | | H-Bond Acceptor | | 9 | | Rotatable Bond Count | | 10 | | | | | Exact Mass | | 638.212044 | | MonoIsotopic Mass | | 638.212044 | | Topological Polar Surface Area | | 176 | | Heavy Atom Count | | 44 | | Formal Charge | | 0 | | Complexity | | 1160 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 1 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 5 | | Feature 3D Donor Count | | 4 | | Feature 3D Hydrophobe Count | | 1 | | Feature 3D Ring Count | | 4 | | Effective Rotor Count | | 11.6 | | Conformer Sampling RMSD | | 1.4 | | CID Conformer Count | | 328 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 635402, Version: 1, Same
SID 635402, Version: 2, Same
SID 635402, Version: 3, Same
SID 635402, Version: 4, Same
SID 8030317, Version: 1, Same
SID 10560271, Version: 1, Same
SID 85574055, Version: 1, Same
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