General Information of the Compound
| Compound ID |
CP0919570
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| Compound Name |
rac-1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride
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| Structure |
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| Formula |
C29H43Cl2N5O2
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| Molecular Weight |
564.602
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2.Cl.Cl
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| InChI |
InChI=1S/C29H41N5O2.2ClH/c1-2-3-16-34-27(35)25(19-22-10-6-4-7-11-22)32-28(36)29(34)14-17-33(18-15-29)21-24-20-30-26(31-24)23-12-8-5-9-13-23;;/h5,8-9,12-13,20,22,25H,2-4,6-7,10-11,14-19,21H2,1H3,(H,30,31)(H,32,36);2*1H
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| InChIKey |
NXMWMKGIMONOPN-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