General Information of the Compound
| Compound ID |
CP0485243
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| Compound Name |
(S)-4-(4-(methyl(2-(methylsulfonyl)ethyl)amino)-6-phenylpicolinamido)-5-oxo-5-(4-(hexyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C32H45N5O8S
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| Molecular Weight |
659.806
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| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCS(C)(=O)=O
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| InChI |
InChI=1S/C32H45N5O8S/c1-4-5-6-10-20-45-32(42)37-17-15-36(16-18-37)31(41)26(13-14-29(38)39)34-30(40)28-23-25(35(2)19-21-46(3,43)44)22-27(33-28)24-11-8-7-9-12-24/h7-9,11-12,22-23,26H,4-6,10,13-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
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| InChIKey |
IAGNSWHCRLOSBJ-SANMLTNESA-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