General Information of the Compound
| Compound ID |
CP0473876
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C30H30F5N5O3
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| Molecular Weight |
603.592
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3cc(n[nH]c3=O)-c3ccccc3)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C30H30F5N5O3/c31-23-8-4-7-21(26(23)32)20-9-10-24(28(42)40(16-20)17-30(33,34)35)36-29(43)39-13-11-18(12-14-39)22-15-25(37-38-27(22)41)19-5-2-1-3-6-19/h1-8,15,18,20,24H,9-14,16-17H2,(H,36,43)(H,38,41)/t20-,24-/m1/s1
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| InChIKey |
RPBNPWUNODXFRC-HYBUGGRVSA-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