General Information of the Compound
| Compound ID |
CP0962089
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| Compound Name |
(R)-tert-butyl methyl(1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl)carbamate
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| Structure |
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| Formula |
C22H30N6O4
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| Molecular Weight |
442.52
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| Canonical SMILES |
Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C22H30N6O4/c1-13-16(11-23-28(13)20-24-17-8-6-7-15(17)18(29)25-20)19(30)27-10-9-14(12-27)26(5)21(31)32-22(2,3)4/h11,14H,6-10,12H2,1-5H3,(H,24,25,29)/t14-/m1/s1
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| InChIKey |
SGEICJVOGBDTKF-CQSZACIVSA-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