General Information of the Compound
| Compound ID |
CP0413884
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| Compound Name |
(2S)-N-[1-[2-(dimethylamino)ethyl]-2-oxo-5-pyridin-4-ylpyridin-3-yl]-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
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| Structure |
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| Formula |
C31H34N6O2
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| Molecular Weight |
522.653
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| Canonical SMILES |
CN(C)CCn1cc(cc(NC(=O)[C@H](Cc2ccccc2)NC2(CC2)c2ccccn2)c1=O)-c1ccncc1
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| InChI |
InChI=1S/C31H34N6O2/c1-36(2)18-19-37-22-25(24-11-16-32-17-12-24)21-27(30(37)39)34-29(38)26(20-23-8-4-3-5-9-23)35-31(13-14-31)28-10-6-7-15-33-28/h3-12,15-17,21-22,26,35H,13-14,18-20H2,1-2H3,(H,34,38)/t26-/m0/s1
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| InChIKey |
CFUQJRQSRBNLSO-SANMLTNESA-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