General Information of the Compound
| Compound ID |
CP0384058
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| Compound Name |
(4S)-4-{[(4-{[(3-Methoxypropyl)amino]carbonyl}-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 |
C32H43N5O8
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| Molecular Weight |
625.723
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)NCCCOC
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| InChI |
InChI=1S/C32H43N5O8/c1-3-4-8-20-45-32(43)37-17-15-36(16-18-37)31(42)25(12-13-28(38)39)35-30(41)27-22-24(29(40)33-14-9-19-44-2)21-26(34-27)23-10-6-5-7-11-23/h5-7,10-11,21-22,25H,3-4,8-9,12-20H2,1-2H3,(H,33,40)(H,35,41)(H,38,39)/t25-/m0/s1
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| InChIKey |
PXQFKAHDDLFGEH-VWLOTQADSA-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