General Information of the Compound
| Compound ID |
CP0920915
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| Compound Name |
4-(4-(((R)-3-((R)-cyclohexyl(hydroxy)methyl)-1-ethyl-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride
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| Structure |
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| Formula |
C31H40ClN3O6
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| Molecular Weight |
586.129
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| Canonical SMILES |
CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C31H39N3O6.ClH/c1-2-34-28(36)26(27(35)22-6-4-3-5-7-22)32-30(39)31(34)16-18-33(19-17-31)20-21-8-12-24(13-9-21)40-25-14-10-23(11-15-25)29(37)38;/h8-15,22,26-27,35H,2-7,16-20H2,1H3,(H,32,39)(H,37,38);1H/t26-,27-;/m1./s1
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| InChIKey |
IILJEIUMLGUGHW-CNZCJKERSA-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