General Information of the Compound
| Compound ID |
CP0559050
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| Compound Name |
6-[(2R)-4-(4-carbamoylphenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C28H35N5O3/c1-17-16-32(22-7-5-19(6-8-22)26(29)34)9-10-33(17)24-4-2-3-23(30-24)27(35)31-25-20-11-18-12-21(25)15-28(36,13-18)14-20/h2-8,17-18,20-21,25,36H,9-16H2,1H3,(H2,29,34)(H,31,35)/t17-,18?,20?,21?,25?,28?/m1/s1
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| InChIKey |
NPBACIHCJPTJHG-KQVVASPPSA-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