General Information of the Compound
| Compound ID |
CP0514385
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(4-methylsulfonylphenyl)-2-bicyclo[3.1.0]hexanyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]urea
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| Structure |
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| Formula |
C27H31ClFN3O4S
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| Molecular Weight |
548.08
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCCC1=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C27H31ClFN3O4S/c1-37(35,36)20-8-5-18(6-9-20)27-12-11-24(21(27)17-27)32(15-3-14-31-13-2-4-25(31)33)26(34)30-19-7-10-23(29)22(28)16-19/h5-10,16,21,24H,2-4,11-15,17H2,1H3,(H,30,34)/t21-,24-,27-/m1/s1
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| InChIKey |
CJVGLJJODOOTRM-GNMGOMLTSA-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