General Information of the Compound
| Compound ID |
CP0227808
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| Compound Name |
(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-N-((R)-3,4-dihydroxybutyl)-5-fluoro-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-5'-carboxamide
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| Structure |
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| Formula |
C27H32Cl2FN3O4
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| Molecular Weight |
552.474
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| Canonical SMILES |
CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)c(F)cc12)C(=O)NCC[C@@H](O)CO
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| InChI |
InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21-,22+,23-,27+/m1/s1
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| InChIKey |
UNXQGBMZYKHQCO-LZITZJIASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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