General Information of the Compound
| Compound ID |
CP0574752
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-[6-(methylcarbamoyl)pyridin-3-yl]piperazin-1-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H36N6O3
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| Molecular Weight |
504.635
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| Canonical SMILES |
CNC(=O)c1ccc(cn1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
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| InChI |
InChI=1S/C28H36N6O3/c1-17-16-33(21-6-7-22(30-15-21)26(35)29-2)8-9-34(17)24-5-3-4-23(31-24)27(36)32-25-19-10-18-11-20(25)14-28(37,12-18)13-19/h3-7,15,17-20,25,37H,8-14,16H2,1-2H3,(H,29,35)(H,32,36)/t17-,18?,19?,20?,25?,28?/m1/s1
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| InChIKey |
LJKNHXPUBONUPU-HRMXCHKUSA-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