General Information of the Compound
| Compound ID |
CP0919865
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| Compound Name |
4-(4-(((R)-3-((R)-cyclohexyl(hydroxy)methyl)-1-methyl-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 |
C30H38ClN3O6
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| Molecular Weight |
572.102
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| Canonical SMILES |
CN1C(=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/C30H37N3O6.ClH/c1-32-27(35)25(26(34)21-5-3-2-4-6-21)31-29(38)30(32)15-17-33(18-16-30)19-20-7-11-23(12-8-20)39-24-13-9-22(10-14-24)28(36)37;/h7-14,21,25-26,34H,2-6,15-19H2,1H3,(H,31,38)(H,36,37);1H/t25-,26-;/m1./s1
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| InChIKey |
GCDVSVOUBIPJFS-JUJAXGASSA-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