General Information of the Compound
| Compound ID |
CP0071234
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| Compound Name |
1-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl}-3-(3-morpholin-4-ylpropyl)urea
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| Structure |
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| Formula |
C23H37N7O3
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| Molecular Weight |
459.595
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)NCCCN1CCOCC1)[nH]c2=O
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| InChI |
InChI=1S/C23H37N7O3/c1-15(2)19-20-21(29-28-19)22(31)27-18(26-20)14-16-6-3-4-7-17(16)25-23(32)24-8-5-9-30-10-12-33-13-11-30/h15-17H,3-14H2,1-2H3,(H,28,29)(H2,24,25,32)(H,26,27,31)/t16-,17+/m0/s1
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| InChIKey |
WXHYNZHWBZIGJP-DLBZAZTESA-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