General Information of the Compound
| Compound ID |
CP0081453
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| Compound Name |
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
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| Structure |
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| Formula |
C17H16Cl2N2O
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| Molecular Weight |
335.234
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| Canonical SMILES |
N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1
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| InChIKey |
JFWNERIMAUEHNN-MRXNPFEDSA-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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