General Information of the Compound
| Compound ID |
CP0464479
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| Compound Name |
2(R)-[[ 4-[2-(1-piperidinyl)ethyl]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-[(R)-alpha-methylbenzyl]amide
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| Structure |
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| Formula |
C44H53N5O5
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| Molecular Weight |
731.938
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51)/b21-20+/t32-,37+,38-,39+,41-/m0/s1
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| InChIKey |
HKPLAUMYFHPXIC-NRIIOKSUSA-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