General Information of the Compound
| Compound ID |
CP0665629
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| Compound Name |
Tert-butyl (15-(2-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-10-oxo-3,6-dioxa-12-thia-9-azapentadecyl)carbamate
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| Structure |
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| Formula |
C28H49N3O7S
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| Molecular Weight |
571.781
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| Canonical SMILES |
CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H49N3O7S/c1-22(2)31-19-24(32)20-37-25-11-7-6-9-23(25)10-8-18-39-21-26(33)29-12-14-35-16-17-36-15-13-30-27(34)38-28(3,4)5/h6-7,9,11,22,24,31-32H,8,10,12-21H2,1-5H3,(H,29,33)(H,30,34)
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| InChIKey |
GQDSDPKIRQFELH-UHFFFAOYSA-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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