General Information of the Compound
| Compound ID |
CP0220655
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| Compound Name |
(2S)-2-[(3R)-3-acetamido-3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]propanamide
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| Structure |
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| Formula |
C31H40F2N4O5
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| Molecular Weight |
586.68
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1
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| InChI |
InChI=1S/C31H40F2N4O5/c1-19(37-10-9-31(30(37)41,36-20(2)38)16-21-7-8-21)29(40)35-27(14-23-11-24(32)15-25(33)12-23)28(39)18-34-17-22-5-4-6-26(13-22)42-3/h4-6,11-13,15,19,21,27-28,34,39H,7-10,14,16-18H2,1-3H3,(H,35,40)(H,36,38)/t19-,27-,28+,31-/m0/s1
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| InChIKey |
PZJBTJGORPCYGH-OKDYYHMFSA-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