General Information of the Compound
| Compound ID |
CP0424365
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-((dimethylamino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-1-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C30H40ClFN4O3S
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| Molecular Weight |
591.193
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| Canonical SMILES |
CN(C)Cc1cccc(c1)[C@@]12CC1C[C@@H](CC2)N(CC1CCN(CC1)S(C)(=O)=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C30H40ClFN4O3S/c1-34(2)19-22-5-4-6-23(15-22)30-12-9-26(16-24(30)18-30)36(20-21-10-13-35(14-11-21)40(3,38)39)29(37)33-25-7-8-28(32)27(31)17-25/h4-8,15,17,21,24,26H,9-14,16,18-20H2,1-3H3,(H,33,37)/t24?,26-,30-/m1/s1
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| InChIKey |
VPGHDTVGVDIOJE-JVIIYPEASA-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