General Information of the Compound
| Compound ID |
CP0469880
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| Compound Name |
(4S)5-(4-Isobutylpiperazin-1-yl)5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C29H40N4O4
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| Molecular Weight |
508.663
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| Canonical SMILES |
CC(C)CN1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H40N4O4/c1-21(2)20-32-16-18-33(19-17-32)28(36)25(14-15-26(34)37-29(3,4)5)31-27(35)24-13-9-12-23(30-24)22-10-7-6-8-11-22/h6-13,21,25H,14-20H2,1-5H3,(H,31,35)/t25-/m0/s1
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| InChIKey |
NSPFQMNJDYCNJI-VWLOTQADSA-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