General Information of the Compound
| Compound ID |
CP0834374
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| Compound Name |
4-((15-(2-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)-10-oxo-3,6-dioxa-12-thia-9-azapentadecyl)carbamoyl)cyclobutane-1,2,3-tricarboxylic acid
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| Structure |
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| Formula |
C31H47N3O12S
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| Molecular Weight |
685.793
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| Canonical SMILES |
CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O
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| InChI |
InChI=1S/C31H47N3O12S/c1-19(2)34-16-21(35)17-46-22-8-4-3-6-20(22)7-5-15-47-18-23(36)32-9-11-44-13-14-45-12-10-33-28(37)24-25(29(38)39)27(31(42)43)26(24)30(40)41/h3-4,6,8,19,21,24-27,34-35H,5,7,9-18H2,1-2H3,(H,32,36)(H,33,37)(H,38,39)(H,40,41)(H,42,43)
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| InChIKey |
GNTBQOIXPDGMJM-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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