General Information of the Compound
| Compound ID |
CP0823433
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| Compound Name |
1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C24H24N6O2/c1-16-19(14-26-30(16)23-27-20-9-5-8-18(20)21(31)28-23)22(32)29-12-10-24(15-25,11-13-29)17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13H2,1H3,(H,27,28,31)
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| InChIKey |
VDOHXQLTTWURAD-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