General Information of the Compound
| Compound ID |
CP0477606
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| Compound Name |
methyl (3R,5S)-5-[[2-tert-butyl-4-(3-methoxypropylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
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| Structure |
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| Formula |
C24H41N5O4
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| Molecular Weight |
463.623
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| Canonical SMILES |
COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)OC)C(C)(C)C
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| InChI |
InChI=1S/C24H41N5O4/c1-16(2)15-29(18-11-17(12-25-13-18)22(31)33-7)21(30)19-14-27-23(24(3,4)5)28-20(19)26-9-8-10-32-6/h14,16-18,25H,8-13,15H2,1-7H3,(H,26,27,28)/t17-,18+/m1/s1
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| InChIKey |
NRMWBVITDRMGMC-MSOLQXFVSA-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