General Information of the Compound
| Compound ID |
CP0239513
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| Compound Name |
(S)-1-(Cyclohexylmethyl)-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin
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| Structure |
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| Formula |
C26H30N2O5S
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| Molecular Weight |
482.602
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| Canonical SMILES |
O=C1N(CC2CCCCC2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
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| InChI |
InChI=1S/C26H30N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h2,5-6,11-14,16,19-20H,1,3-4,7-10,15,17-18H2/t20-/m0/s1
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| InChIKey |
SHYCPWWQCBOBBN-FQEVSTJZSA-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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