General Information of the Compound
| Compound ID |
CP0910786
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| Compound Name |
(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-{4-[4-(methylsulfonyl)phenoxy]benzyl}-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C33H46ClN3O6S
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| Molecular Weight |
648.266
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| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H45N3O6S.ClH/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-26(13-11-24)42-27-14-16-28(17-15-27)43(2,40)41;/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39);1H/t29-,30-;/m1./s1
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| InChIKey |
FRPOWJMANFYJQV-GAQUOPITSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound