General Information of the Compound
| Compound ID |
CP0513915
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| Compound Name |
(4S)4-({[4-({[Methyl(tetrahydrofuran-3-yl)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 |
C33H43N5O9
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| Molecular Weight |
653.733
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H43N5O9/c1-3-4-8-18-46-33(44)38-16-14-37(15-17-38)31(42)26(11-12-29(39)40)35-30(41)28-21-25(20-27(34-28)23-9-6-5-7-10-23)47-32(43)36(2)24-13-19-45-22-24/h5-7,9-10,20-21,24,26H,3-4,8,11-19,22H2,1-2H3,(H,35,41)(H,39,40)/t24?,26-/m0/s1
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| InChIKey |
CHHZSXIOHUMXCV-JKGBFCRXSA-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