General Information of the Compound
| Compound ID |
CP0513920
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| Compound Name |
(4S)4-{[(4-{[1-(Ethylsulfonyl)piperidin-4-yl]oxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C34H47N5O9S
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| Molecular Weight |
701.843
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)S(=O)(=O)CC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H47N5O9S/c1-3-5-9-22-47-34(44)38-20-18-37(19-21-38)33(43)28(12-13-31(40)41)36-32(42)30-24-27(23-29(35-30)25-10-7-6-8-11-25)48-26-14-16-39(17-15-26)49(45,46)4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,36,42)(H,40,41)/t28-/m0/s1
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| InChIKey |
LPTWIOZYOPTXSO-NDEPHWFRSA-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