General Information of the Compound
| Compound ID |
CP0537495
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| Compound Name |
3-[[(2S)-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(hexanoylamino)acetyl]amino]benzamide
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| Formula |
C28H29Cl2N3O4
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| Molecular Weight |
542.463
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)Nc1cccc(c1)C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C28H29Cl2N3O4/c1-2-3-4-11-25(34)33-26(28(36)32-20-8-5-7-19(16-20)27(31)35)18-12-14-21(15-13-18)37-17-22-23(29)9-6-10-24(22)30/h5-10,12-16,26H,2-4,11,17H2,1H3,(H2,31,35)(H,32,36)(H,33,34)/t26-/m0/s1
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| InChIKey |
DCOGUUWGJXYWFG-SANMLTNESA-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