General Information of the Compound
| Compound ID |
CP0502656
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| Compound Name |
(4S)-4-[({4-[(4-Methoxypiperidin-1-yl)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 |
C34H45N5O8
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| Molecular Weight |
651.761
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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)N1CCC(CC1)OC
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| InChI |
InChI=1S/C34H45N5O8/c1-3-4-8-21-47-34(45)39-19-17-38(18-20-39)33(44)27(11-12-30(40)41)36-31(42)29-23-25(22-28(35-29)24-9-6-5-7-10-24)32(43)37-15-13-26(46-2)14-16-37/h5-7,9-10,22-23,26-27H,3-4,8,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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| InChIKey |
JPLLYXJQZYZORQ-MHZLTWQESA-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