General Information of the Compound
| Compound ID |
CP0070550
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| Compound Name |
(1R,4R,5S)-4-(2-chloroethyl)-1-[(1S)-1-hydroxy-2-phenylethyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
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| Structure |
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| Formula |
C16H18ClNO4
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| Molecular Weight |
323.776
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| Canonical SMILES |
C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)Cc1ccccc1
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| InChI |
InChI=1S/C16H18ClNO4/c1-15-11(7-8-17)13(20)18-16(15,14(21)22-15)12(19)9-10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
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| InChIKey |
HRTPTHJSXUCSAM-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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