General Information of the Compound
| Compound ID |
CP0252881
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| Compound Name |
1-[4-[3-fluoro-4-[[(3S,6S)-6-methyl-4,4-dioxo-3-phenyl-1,4,5-oxathiazepan-5-yl]methyl]phenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C24H30FN3O4S
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| Molecular Weight |
475.586
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| Canonical SMILES |
C[C@H]1COC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H30FN3O4S/c1-18-16-32-17-24(20-6-4-3-5-7-20)33(30,31)28(18)15-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1
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| InChIKey |
LUFNTVBOMKDTDQ-MHECFPHRSA-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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