General Information of the Compound
| Compound ID |
CP0259996
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| Compound Name |
US9353075, 53
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| Structure |
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| Formula |
C18H25NO4
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| Molecular Weight |
319.401
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| Canonical SMILES |
CC(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
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| InChI |
InChI=1S/C18H25NO4/c1-13(2)16-15(17(20)23-16)19-18(21)22-12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3,(H,19,21)/t15-,16+/m1/s1
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| InChIKey |
OFKUGJHNJFEZIC-CVEARBPZSA-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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