General Information of the Compound
| Compound ID |
CP0920535
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| Compound Name |
(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[4-(4-hydroxyphenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C32H44ClN3O5
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| Molecular Weight |
586.173
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| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C32H43N3O5.ClH/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27;/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39);1H/t28-,29-;/m1./s1
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| InChIKey |
QKJISACYTOLKPC-PQQSRXGVSA-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