General Information of the Compound
| Compound ID |
CP0577612
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| Compound Name |
6-[(2R)-4-(6-carbamoylpyridin-3-yl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H34N6O3
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| Molecular Weight |
490.608
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(nc1)C(N)=O
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| InChI |
InChI=1S/C27H34N6O3/c1-16-15-32(20-5-6-21(25(28)34)29-14-20)7-8-33(16)23-4-2-3-22(30-23)26(35)31-24-18-9-17-10-19(24)13-27(36,11-17)12-18/h2-6,14,16-19,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35)/t16-,17?,18?,19?,24?,27?/m1/s1
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| InChIKey |
NYFMEHSYRAVPOI-REKAHOPZSA-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