General Information of the Compound
| Compound ID |
CP0477642
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(propylamino)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C30H41N5O6
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| Molecular Weight |
567.687
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H41N5O6/c1-3-5-9-19-41-30(40)35-17-15-34(16-18-35)29(39)24(12-13-27(36)37)33-28(38)26-21-23(31-14-4-2)20-25(32-26)22-10-7-6-8-11-22/h6-8,10-11,20-21,24H,3-5,9,12-19H2,1-2H3,(H,31,32)(H,33,38)(H,36,37)/t24-/m0/s1
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| InChIKey |
RMRLJMCBRLVDPN-DEOSSOPVSA-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