General Information of the Compound
| Compound ID |
CP0913649
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| Compound Name |
2-(4-(1-benzyl-1,7-diazaspiro[4.4]nonane-7-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCN3Cc3ccccc3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C26H30N6O2/c1-18-21(15-27-32(18)25-28-22-10-5-9-20(22)23(33)29-25)24(34)30-14-12-26(17-30)11-6-13-31(26)16-19-7-3-2-4-8-19/h2-4,7-8,15H,5-6,9-14,16-17H2,1H3,(H,28,29,33)
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| InChIKey |
GZSQJQHTWOREKO-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