General Information of the Compound
| Compound ID |
CP0510903
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| Compound Name |
3-(4-butylpiperazin-1-yl)-3-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C39H42F3N5O5
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| Molecular Weight |
717.789
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| Canonical SMILES |
CCCCN1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C39H42F3N5O5/c1-2-3-19-44-20-22-45(23-21-44)36(49)34(35(48)43-25-28-13-10-16-30(24-28)39(40,41)42)46-31(18-17-27-11-6-4-7-12-27)33(37(46)50)47-32(26-52-38(47)51)29-14-8-5-9-15-29/h4-18,24,31-34H,2-3,19-23,25-26H2,1H3,(H,43,48)/b18-17+/t31-,32-,33+,34?/m1/s1
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| InChIKey |
NYLWZZQAUICEQU-ILMIZGSGSA-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