General Information of the Compound
| Compound ID |
CP0883021
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| Compound Name |
1-(3-hydroxy-butyl)-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C29H40ClN3O4
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| Molecular Weight |
530.109
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| Canonical SMILES |
CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CCC(C)O)C1=O.Cl
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| InChI |
InChI=1S/C29H39N3O4.ClH/c1-21(2)19-26-27(34)32(16-13-22(3)33)29(28(35)30-26)14-17-31(18-15-29)20-23-9-11-25(12-10-23)36-24-7-5-4-6-8-24;/h4-12,21-22,26,33H,13-20H2,1-3H3,(H,30,35);1H
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| InChIKey |
BGVVHPOHFQGXHV-UHFFFAOYSA-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