General Information of the Compound
| Compound ID |
CP0070546
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| Compound Name |
(1R,4R,5S)-4-(3-chloropropyl)-1-[(S)-cyclohexyl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
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| Structure |
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| Formula |
C16H24ClNO4
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| Molecular Weight |
329.824
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| Canonical SMILES |
C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCCl)[C@@H](O)C1CCCCC1
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| InChI |
InChI=1S/C16H24ClNO4/c1-15-11(8-5-9-17)13(20)18-16(15,14(21)22-15)12(19)10-6-3-2-4-7-10/h10-12,19H,2-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
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| InChIKey |
YQXBYNPDPJTCPP-APYUEPQZSA-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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