General Information of the Compound
| Compound ID |
CP0273891
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-1-[(2R,4S)-4-aminopyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C33H45F2N5O4
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| Molecular Weight |
613.75
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| Canonical SMILES |
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)CN2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C33H45F2N5O4/c1-4-20(2)33(39-21(3)41)12-13-40(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)38-28(30(42)27-18-26(36)19-37-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,37,42H,4,10-13,16,18-19,36H2,1-3H3,(H,38,43)(H,39,41)/t20?,26-,27+,28-,29-,30+,33-/m0/s1
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| InChIKey |
XOYZPRDIMSHLPA-MRWURJTPSA-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