General Information of the Compound
| Compound ID |
CP0570998
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| Compound Name |
(3R,5S)-7-cyclohexyl-3-hydroxy-1-[(4-pyridin-4-ylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
O[C@H]1CN(Cc2ccc(cc2)-c2ccncc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1
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| InChI |
InChI=1S/C25H31N3O2/c29-23-16-25(12-15-28(24(25)30)22-4-2-1-3-5-22)27(18-23)17-19-6-8-20(9-7-19)21-10-13-26-14-11-21/h6-11,13-14,22-23,29H,1-5,12,15-18H2/t23-,25+/m1/s1
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| InChIKey |
HBPDGHDLZZGMSQ-NOZRDPDXSA-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