General Information of the Compound
| Compound ID |
CP0528069
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(piperidin-2-ylmethoxy)yridin-2-yl]carbonyl}amino)entanoic 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 |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCCCN2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H43N5O7/c1-2-3-19-43-32(42)37-17-15-36(16-18-37)31(41)26(12-13-29(38)39)35-30(40)28-21-25(44-22-24-11-7-8-14-33-24)20-27(34-28)23-9-5-4-6-10-23/h4-6,9-10,20-21,24,26,33H,2-3,7-8,11-19,22H2,1H3,(H,35,40)(H,38,39)/t24?,26-/m0/s1
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| InChIKey |
GMVDYMGRVZXKQH-JKGBFCRXSA-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