General Information of the Compound
| Compound ID |
CP0578967
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| Compound Name |
(5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-3-methyl-1,7-diazaspiro[4.4]nonan-6-one
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| Structure |
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| Formula |
C21H29ClN2O2
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| Molecular Weight |
376.928
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| Canonical SMILES |
CC1(O)CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1
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| InChI |
InChI=1S/C21H29ClN2O2/c1-20(26)14-21(23(15-20)13-16-7-9-17(22)10-8-16)11-12-24(19(21)25)18-5-3-2-4-6-18/h7-10,18,26H,2-6,11-15H2,1H3/t20?,21-/m0/s1
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| InChIKey |
QEIQKKDDRJNTDS-LBAQZLPGSA-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