General Information of the Compound
| Compound ID |
CP0254722
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| Compound Name |
2-tert-butyl-4-hexyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H49N5O3
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| Molecular Weight |
515.743
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| Canonical SMILES |
CCCCCCc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C
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| InChI |
InChI=1S/C29H49N5O3/c1-7-8-9-10-11-25-24(19-31-28(32-25)29(4,5)6)27(36)34(20-21(2)3)23-16-22(17-30-18-23)26(35)33-12-14-37-15-13-33/h19,21-23,30H,7-18,20H2,1-6H3/t22-,23+/m1/s1
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| InChIKey |
MVIGGJLXXAWWJX-PKTZIBPZSA-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