General Information of the Compound
| Compound ID |
CP0462936
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| Compound Name |
2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylmethyl]-2-[3(S)-(4(S)-phenyloxazolidin-2-on-3-yl)-4(R)-(2-styryl)azetidin-2-on-1-yl]acetic acid N-(2-fluoro-3-tri-fluoromethylbenzyl)amide
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| Structure |
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| Formula |
C42H45F4N5O5
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| Molecular Weight |
775.844
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| Canonical SMILES |
Fc1c(CNC(=O)[C@H](CC(=O)N2CCC(CC2)N2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)cccc1C(F)(F)F
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| InChI |
InChI=1S/C42H45F4N5O5/c43-37-30(15-10-16-32(37)42(44,45)46)26-47-39(53)34(25-36(52)49-23-19-31(20-24-49)48-21-8-3-9-22-48)50-33(18-17-28-11-4-1-5-12-28)38(40(50)54)51-35(27-56-41(51)55)29-13-6-2-7-14-29/h1-2,4-7,10-18,31,33-35,38H,3,8-9,19-27H2,(H,47,53)/b18-17+/t33-,34+,35-,38+/m1/s1
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| InChIKey |
GRCOUBPYPQNVDI-HLVBUYGISA-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