General Information of the Compound
| Compound ID |
CP0221835
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| Compound Name |
(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-cyclopropyl(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 |
C12H16ClNO4
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| Molecular Weight |
273.716
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| Canonical SMILES |
C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
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| InChI |
InChI=1S/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/m0/s1
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| InChIKey |
VKEICTONBXTKAQ-OSTYVCCYSA-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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