General Information of the Compound
| Compound ID |
CP0371022
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| Compound Name |
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H34F2N4O4
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| Molecular Weight |
540.611
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| Canonical SMILES |
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C29H34F2N4O4/c30-22-10-20(11-23(31)14-22)12-24(33-28(38)21-13-25(36)35(17-21)16-19-6-7-19)27(37)26-29(39)34(9-8-32-26)15-18-4-2-1-3-5-18/h1-5,10-11,14,19,21,24,26-27,32,37H,6-9,12-13,15-17H2,(H,33,38)/t21?,24-,26-,27-/m0/s1
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| InChIKey |
YQIIMRFZVGRICH-RUZOEWKHSA-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