General Information of the Compound
| Compound ID |
CP0388406
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| Compound Name |
(2S)-N-[[4-(diaminomethylideneamino)phenyl]methyl]-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-(4-phenylphenyl)acetyl]amino]acetamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C39H34Cl2F3N5O5
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| Molecular Weight |
780.631
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1
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| InChI |
InChI=1S/C37H33Cl2N5O3.C2HF3O2/c38-32-7-4-8-33(39)31(32)23-47-30-19-15-28(16-20-30)35(36(46)42-22-25-11-17-29(18-12-25)43-37(40)41)44-34(45)21-24-9-13-27(14-10-24)26-5-2-1-3-6-26;3-2(4,5)1(6)7/h1-20,35H,21-23H2,(H,42,46)(H,44,45)(H4,40,41,43);(H,6,7)/t35-;/m0./s1
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| InChIKey |
VQPWTWAHHMNJBR-XLQCLRHOSA-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