General Information of the Compound
| Compound ID |
CP0489635
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| Compound Name |
(4S)4-({[4-(2-Hydroxyethoxy)6-phenylpyridin-2-yl]carbonyl}-amino)5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoicAcid
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| Structure |
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| Formula |
C29H38N4O8
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| Molecular Weight |
570.643
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCO)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H38N4O8/c1-2-3-7-17-41-29(39)33-14-12-32(13-15-33)28(38)23(10-11-26(35)36)31-27(37)25-20-22(40-18-16-34)19-24(30-25)21-8-5-4-6-9-21/h4-6,8-9,19-20,23,34H,2-3,7,10-18H2,1H3,(H,31,37)(H,35,36)/t23-/m0/s1
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| InChIKey |
MIAIOPQKCWHYRT-QHCPKHFHSA-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