General Information of the Compound
| Compound ID |
CP0522030
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| Compound Name |
(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[(propylamino)carbonyl]pyridin-2-yl}carbonyl)amino]-pentanoic Acid
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| Structure |
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| Formula |
C31H41N5O7
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| Molecular Weight |
595.697
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)NCCC
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| InChI |
InChI=1S/C31H41N5O7/c1-3-5-9-19-43-31(42)36-17-15-35(16-18-36)30(41)24(12-13-27(37)38)34-29(40)26-21-23(28(39)32-14-4-2)20-25(33-26)22-10-7-6-8-11-22/h6-8,10-11,20-21,24H,3-5,9,12-19H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)/t24-/m0/s1
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| InChIKey |
OSUIDTZJTHLYLW-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