General Information of the Compound
| Compound ID |
CP0398673
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| Compound Name |
2-tert-butyl-N-[(3S,5R)-5-carbamoylpiperidin-3-yl]-4-(3-methoxypropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H40N6O3
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| Molecular Weight |
448.612
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| Canonical SMILES |
COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(N)=O)C(C)(C)C
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| InChI |
InChI=1S/C23H40N6O3/c1-15(2)14-29(17-10-16(19(24)30)11-25-12-17)21(31)18-13-27-22(23(3,4)5)28-20(18)26-8-7-9-32-6/h13,15-17,25H,7-12,14H2,1-6H3,(H2,24,30)(H,26,27,28)/t16-,17+/m1/s1
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| InChIKey |
UDGOQNBHRYYFSR-SJORKVTESA-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