General Information of the Compound
| Compound ID |
CP0432850
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| Compound Name |
4-[[[[(3-chloro-4-fluorophenyl)amino]carbonyl][(trans-5-[4-(methylsulfonyl)phenyl]bicyclo[3.1.0]hex-2-yl]amino]methyl]-1-(methylsulfonyl)piperidine
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| Structure |
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| Formula |
C27H33ClFN3O5S2
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| Molecular Weight |
598.162
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H33ClFN3O5S2/c1-38(34,35)21-6-3-19(4-7-21)27-12-9-25(22(27)16-27)32(17-18-10-13-31(14-11-18)39(2,36)37)26(33)30-20-5-8-24(29)23(28)15-20/h3-8,15,18,22,25H,9-14,16-17H2,1-2H3,(H,30,33)/t22-,25-,27-/m1/s1
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| InChIKey |
FBXRGUMEPISGRA-AVPJRLCVSA-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