General Information of the Compound
| Compound ID |
CP0051743
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| Compound Name |
(15S,16S,18R)-16-hydroxy-15,16-dimethyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
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| Structure |
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| Formula |
C26H21N3O3
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| Molecular Weight |
423.472
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| Canonical SMILES |
C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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| InChI |
InChI=1S/C26H21N3O3/c1-25(31)11-18-28-16-9-5-3-7-13(16)20-21-15(12-27-24(21)30)19-14-8-4-6-10-17(14)29(23(19)22(20)28)26(25,2)32-18/h3-10,18,31H,11-12H2,1-2H3,(H,27,30)/t18-,25+,26+/m1/s1
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| InChIKey |
HXGMCPSJILOUIU-LROUJFHJSA-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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