General Information of the Compound
| Compound ID |
CP0093549
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]propanamide
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| Structure |
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| Formula |
C26H38F2N4O5
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| Molecular Weight |
524.609
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| Canonical SMILES |
CCC(C)[C@]1(CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C26H38F2N4O5/c1-5-14(2)26(31-16(4)33)6-7-32(25(26)37)15(3)24(36)30-22(23(35)21-12-20(34)13-29-21)10-17-8-18(27)11-19(28)9-17/h8-9,11,14-15,20-23,29,34-35H,5-7,10,12-13H2,1-4H3,(H,30,36)(H,31,33)/t14?,15-,20-,21+,22-,23+,26-/m0/s1
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| InChIKey |
QPTJRBQKRLMQEY-YNVDWLBKSA-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