General Information of the Compound
| Compound ID |
CP0501498
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| Compound Name |
(4S)5-[4-(Butylsulfonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C29H40N4O6S
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| Molecular Weight |
572.728
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| Canonical SMILES |
CCCCS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H40N4O6S/c1-5-6-21-40(37,38)33-19-17-32(18-20-33)28(36)25(15-16-26(34)39-29(2,3)4)31-27(35)24-14-10-13-23(30-24)22-11-8-7-9-12-22/h7-14,25H,5-6,15-21H2,1-4H3,(H,31,35)/t25-/m0/s1
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| InChIKey |
JPFHFKTWFOCMIK-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