General Information of the Compound
| Compound ID |
CP0306681
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| Compound Name |
(S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propylamino)-2-methylpropyl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C32H44N4O6S
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| Molecular Weight |
612.793
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C32H44N4O6S/c1-4-5-6-7-20-33-31(39)35-25-12-18-30(19-13-25)43(40,41)36-26-10-8-24(9-11-26)21-32(2,3)34-22-28(38)23-42-29-16-14-27(37)15-17-29/h8-19,28,34,36-38H,4-7,20-23H2,1-3H3,(H2,33,35,39)/t28-/m0/s1
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| InChIKey |
PJORFOHALZCPRN-NDEPHWFRSA-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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