General Information of the Compound
| Compound ID |
CP0420179
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3-fluorophenyl)-1-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C28H33FN4O3S
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| Molecular Weight |
524.662
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2cccc(F)c2)CC1
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| InChI |
InChI=1S/C28H33FN4O3S/c1-37(35,36)32-12-9-20(10-13-32)19-33(27(34)31-25-7-3-6-24(29)16-25)26-8-11-28(17-23(28)15-26)22-5-2-4-21(14-22)18-30/h2-7,14,16,20,23,26H,8-13,15,17,19H2,1H3,(H,31,34)/t23?,26-,28-/m1/s1
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| InChIKey |
QMNSATAKKLFUPO-RLWFRMLUSA-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