General Information of the Compound
| Compound ID |
CP0761031
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| Compound Name |
methyl 3-(4-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperazine-1-carbonyl)bicyclo[1.1.1]pentane-1-carboxylate
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| Structure |
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| Formula |
C24H28N6O5
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| Molecular Weight |
480.525
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| Canonical SMILES |
COC(=O)C12CC(C(=O)N3CCN(C(=O)c4cnn(-c5nc6c(c(=O)[nH]5)CCC6)c4C)CC3)(C1)C2
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| InChI |
InChI=1S/C24H28N6O5/c1-14-16(10-25-30(14)22-26-17-5-3-4-15(17)18(31)27-22)19(32)28-6-8-29(9-7-28)20(33)23-11-24(12-23,13-23)21(34)35-2/h10H,3-9,11-13H2,1-2H3,(H,26,27,31)
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| InChIKey |
GZUTVXROFWKPMA-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