General Information of the Compound
| Compound ID |
CP0423114
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| Compound Name |
4-(4-chlorophenyl)-N-[(1S)-2-[[4-(diaminomethylideneamino)phenyl]methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]benzamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C38H33ClF3N5O5
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| Molecular Weight |
732.159
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccc(OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C36H32ClN5O3.C2HF3O2/c37-30-16-12-27(13-17-30)26-8-10-29(11-9-26)34(43)42-33(35(44)40-22-24-6-18-31(19-7-24)41-36(38)39)28-14-20-32(21-15-28)45-23-25-4-2-1-3-5-25;3-2(4,5)1(6)7/h1-21,33H,22-23H2,(H,40,44)(H,42,43)(H4,38,39,41);(H,6,7)/t33-;/m0./s1
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| InChIKey |
RHURYQSSLRZGML-WAQYZQTGSA-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