General Information of the Compound
| Compound ID |
CP0374489
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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-(3-trifluoromethylbenzyl)amide
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| Structure |
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| Formula |
C42H46F3N5O5
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| Molecular Weight |
757.854
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| Canonical SMILES |
FC(F)(F)c1cccc(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)c1
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| InChI |
InChI=1S/C42H46F3N5O5/c43-42(44,45)32-16-10-13-30(25-32)27-46-39(52)35(26-37(51)48-23-19-33(20-24-48)47-21-8-3-9-22-47)49-34(18-17-29-11-4-1-5-12-29)38(40(49)53)50-36(28-55-41(50)54)31-14-6-2-7-15-31/h1-2,4-7,10-18,25,33-36,38H,3,8-9,19-24,26-28H2,(H,46,52)/b18-17+/t34-,35-,36-,38+/m1/s1
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| InChIKey |
IVQYNYUJGITSAQ-ZUXFZLHLSA-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