General Information of the Compound
| Compound ID |
CP0383989
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| Compound Name |
(4S)4-({[4-({[Methyl(tetrahydro-2H-pyran-4-ylmethyl)mino]-carbonyl}oxy)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 |
C35H47N5O9
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| Molecular Weight |
681.787
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)CC2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H47N5O9/c1-3-4-8-19-48-35(46)40-17-15-39(16-18-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(22-29(36-30)26-9-6-5-7-10-26)49-34(45)38(2)24-25-13-20-47-21-14-25/h5-7,9-10,22-23,25,28H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
KYJSQYKGOQUVAY-NDEPHWFRSA-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