General Information of the Compound
| Compound ID |
CP0485242
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-({[4-(methylamino)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoic Acid
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| Structure |
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| Formula |
C25H31N5O6
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| Molecular Weight |
497.552
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H31N5O6/c1-3-36-25(35)30-13-11-29(12-14-30)24(34)19(9-10-22(31)32)28-23(33)21-16-18(26-2)15-20(27-21)17-7-5-4-6-8-17/h4-8,15-16,19H,3,9-14H2,1-2H3,(H,26,27)(H,28,33)(H,31,32)/t19-/m0/s1
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| InChIKey |
ILBSLTGONVJRRL-IBGZPJMESA-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