General Information of the Compound
| Compound ID |
CP0427257
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(2-(1-(methylsulfonyl)piperidin-4-yl)ethyl)urea
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| Structure |
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| Formula |
C30H34F4N4O3S
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| Molecular Weight |
606.686
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H34F4N4O3S/c1-42(40,41)37-12-8-20(9-13-37)10-14-38(28(39)36-24-5-6-27(31)26(17-24)30(32,33)34)25-7-11-29(18-23(29)16-25)22-4-2-3-21(15-22)19-35/h2-6,15,17,20,23,25H,7-14,16,18H2,1H3,(H,36,39)/t23?,25-,29-/m1/s1
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| InChIKey |
TURPWDNGSKAUDF-NXRLCEILSA-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