General Information of the Compound
| Compound ID |
CP0951509
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| Compound Name |
2-(4-(4-hydroxy-2-methyl-4-phenylpiperidine-1-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 |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(O)(c3ccccc3)CC2C)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C24H27N5O3/c1-15-13-24(32,17-7-4-3-5-8-17)11-12-28(15)22(31)19-14-25-29(16(19)2)23-26-20-10-6-9-18(20)21(30)27-23/h3-5,7-8,14-15,32H,6,9-13H2,1-2H3,(H,26,27,30)
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| InChIKey |
IYDKZHRQPOKJFB-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