General Information of the Compound
| Compound ID |
CP0510214
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| Compound Name |
(4S)4-({[4-(4-Hydroxypiperidin-1-yl)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 |
C32H43N5O7
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| Molecular Weight |
609.724
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(O)CC1
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| InChI |
InChI=1S/C32H43N5O7/c1-2-3-7-20-44-32(43)37-18-16-36(17-19-37)31(42)26(10-11-29(39)40)34-30(41)28-22-24(35-14-12-25(38)13-15-35)21-27(33-28)23-8-5-4-6-9-23/h4-6,8-9,21-22,25-26,38H,2-3,7,10-20H2,1H3,(H,34,41)(H,39,40)/t26-/m0/s1
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| InChIKey |
IHYZSXMYVWPMMC-SANMLTNESA-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