General Information of the Compound
| Compound ID |
CP0550252
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| Compound Name |
4-[3-[4-[[2-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-1H-indole-3-carbonyl]amino]phenyl]propyl]benzoic acid
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| Structure |
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| Formula |
C45H51N5O7
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| Molecular Weight |
773.931
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1[nH]c2ccccc2c1C(=O)Nc1ccc(CCCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C45H51N5O7/c1-4-36(5-2)50(27-26-49(3)39(51)24-25-40(52)53)29-32-12-9-13-34(28-32)43(54)48-42-41(37-14-6-7-15-38(37)47-42)44(55)46-35-22-18-31(19-23-35)11-8-10-30-16-20-33(21-17-30)45(56)57/h6-7,9,12-23,28,36,47H,4-5,8,10-11,24-27,29H2,1-3H3,(H,46,55)(H,48,54)(H,52,53)(H,56,57)
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| InChIKey |
BLXYKSFKLCOMJD-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
Protein ID: PT07709, Sodium-dependent phosphate transport protein 2B
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B