General Information of the Compound
| Compound ID |
CP0428925
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| Compound Name |
(4S)4-{[(4-Butoxy-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 |
C31H42N4O7
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| Molecular Weight |
582.698
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H42N4O7/c1-3-5-10-20-42-31(40)35-17-15-34(16-18-35)30(39)25(13-14-28(36)37)33-29(38)27-22-24(41-19-6-4-2)21-26(32-27)23-11-8-7-9-12-23/h7-9,11-12,21-22,25H,3-6,10,13-20H2,1-2H3,(H,33,38)(H,36,37)/t25-/m0/s1
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| InChIKey |
MSIKIHIZSXJBEF-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