General Information of the Compound
| Compound ID |
CP0573198
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| Compound Name |
6-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-piperidin-1-ylpyridine-2-carbonyl]amino]phenoxy]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C43H51N7O8
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| Molecular Weight |
793.922
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(Oc2ccc(cn2)C(O)=O)cc1)N1CCCCC1
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| InChI |
InChI=1S/C43H51N7O8/c1-4-33(5-2)50(25-24-48(3)38(51)20-21-39(52)53)28-29-10-9-11-30(26-29)41(54)46-35-17-18-36(49-22-7-6-8-23-49)47-40(35)42(55)45-32-13-15-34(16-14-32)58-37-19-12-31(27-44-37)43(56)57/h9-19,26-27,33H,4-8,20-25,28H2,1-3H3,(H,45,55)(H,46,54)(H,52,53)(H,56,57)
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| InChIKey |
SAFCEMVSFWTDTF-UHFFFAOYSA-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