General Information of the Compound
| Compound ID |
CP0427447
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(3,4-difluorophenyl)-1-((1-(ethylsulfonyl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C29H34F2N4O3S
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| Molecular Weight |
556.679
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| Canonical SMILES |
CCS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C29H34F2N4O3S/c1-2-39(37,38)34-12-9-20(10-13-34)19-35(28(36)33-24-6-7-26(30)27(31)16-24)25-8-11-29(17-23(29)15-25)22-5-3-4-21(14-22)18-32/h3-7,14,16,20,23,25H,2,8-13,15,17,19H2,1H3,(H,33,36)/t23?,25-,29-/m1/s1
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| InChIKey |
XZKGHMGVCRTOLI-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