General Information of the Compound
| Compound ID |
CP0499358
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| Compound Name |
(4S)4-({[4-({[4-(Methoxymethyl)piperidin-1-yl]carbonyl}amino)6-phenylpyridin-2-yl]carbonyl}amino)5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid
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| Structure |
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| Formula |
C39H56N6O8
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| Molecular Weight |
736.911
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCC(COC)CC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C39H56N6O8/c1-6-7-11-24-52-38(50)45-22-20-43(21-23-45)36(48)31(14-15-34(46)53-39(2,3)4)42-35(47)33-26-30(25-32(41-33)29-12-9-8-10-13-29)40-37(49)44-18-16-28(17-19-44)27-51-5/h8-10,12-13,25-26,28,31H,6-7,11,14-24,27H2,1-5H3,(H,42,47)(H,40,41,49)/t31-/m0/s1
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| InChIKey |
IESMGFIKIBQWSA-HKBQPEDESA-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