General Information of the Compound
| Compound ID |
CP0536648
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| Compound Name |
N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1cccnc1
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| InChI |
InChI=1S/C25H28N4O/c1-28(2)17-18-6-7-20-14-23(10-8-19(20)13-18)29(3)25(30)24-11-9-22(16-27-24)21-5-4-12-26-15-21/h4-7,9,11-13,15-16,23H,8,10,14,17H2,1-3H3/t23-/m0/s1
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| InChIKey |
KSEFINYTLYHJHP-QHCPKHFHSA-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