General Information of the Compound
| Compound ID |
CP0489512
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| Compound Name |
N-[(2S,3R)-4-[[1-[3-[(E)-but-2-en-2-yl]phenyl]cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C28H36F2N2O2
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| Molecular Weight |
470.604
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| Canonical SMILES |
C\C=C(/C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C28H36F2N2O2/c1-4-19(2)22-9-8-10-23(16-22)28(11-6-5-7-12-28)31-18-27(34)26(32-20(3)33)15-21-13-24(29)17-25(30)14-21/h4,8-10,13-14,16-17,26-27,31,34H,5-7,11-12,15,18H2,1-3H3,(H,32,33)/b19-4+/t26-,27+/m0/s1
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| InChIKey |
JGGAGJGEZQIQKI-OURLZKMLSA-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