General Information of the Compound
| Compound ID |
CP0475606
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| Compound Name |
4-(4-fluorophenyl)-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide
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| Structure |
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| Formula |
C33H33FN4O6S2
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| Molecular Weight |
664.781
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H33FN4O6S2/c34-27-12-10-25(11-13-27)24-6-8-26(9-7-24)33(39)36-46(42,43)30-14-15-31(32(22-30)38(40)41)35-28(16-17-37-18-20-44-21-19-37)23-45-29-4-2-1-3-5-29/h1-15,22,28,35H,16-21,23H2,(H,36,39)/t28-/m1/s1
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| InChIKey |
MYJSNJIVDDYHMU-MUUNZHRXSA-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