General Information of the Compound
| Compound ID |
CP0578367
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-(dimethylamino)pyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C43H52N6O7
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| Molecular Weight |
764.924
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1)N(C)C
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| InChI |
InChI=1S/C43H52N6O7/c1-6-35(7-2)49(26-25-48(5)38(50)23-24-39(51)52)28-31-9-8-10-33(27-31)41(53)45-36-21-22-37(47(3)4)46-40(36)42(54)44-34-19-15-30(16-20-34)12-11-29-13-17-32(18-14-29)43(55)56/h8-10,13-22,27,35H,6-7,11-12,23-26,28H2,1-5H3,(H,44,54)(H,45,53)(H,51,52)(H,55,56)
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| InChIKey |
DWDMXYPPWFJAKG-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