General Information of the Compound
| Compound ID |
CP0577236
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| Compound Name |
4-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-piperidin-1-ylpyridine-2-carbonyl]amino]phenoxy]benzoic acid
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| Structure |
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| Formula |
C44H52N6O8
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| Molecular Weight |
792.934
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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(cc2)C(O)=O)cc1)N1CCCCC1
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| InChI |
InChI=1S/C44H52N6O8/c1-4-34(5-2)50(27-26-48(3)39(51)22-23-40(52)53)29-30-10-9-11-32(28-30)42(54)46-37-20-21-38(49-24-7-6-8-25-49)47-41(37)43(55)45-33-14-18-36(19-15-33)58-35-16-12-31(13-17-35)44(56)57/h9-21,28,34H,4-8,22-27,29H2,1-3H3,(H,45,55)(H,46,54)(H,52,53)(H,56,57)
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| InChIKey |
JJYSGYGHBPXRIN-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