General Information of the Compound
| Compound ID |
CP0514367
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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-(2-pyridin-2-ylethyl)urea
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| Structure |
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| Formula |
C27H27ClFN3O3S
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| Molecular Weight |
528.049
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCc1ccccn1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C27H27ClFN3O3S/c1-36(34,35)21-8-5-18(6-9-21)27-13-11-25(22(27)17-27)32(15-12-19-4-2-3-14-30-19)26(33)31-20-7-10-24(29)23(28)16-20/h2-10,14,16,22,25H,11-13,15,17H2,1H3,(H,31,33)/t22-,25-,27-/m1/s1
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| InChIKey |
ORLUXGKGJLFCBT-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