General Information of the Compound
| Compound ID |
CP0268128
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| Compound Name |
4-cyclohexyloxy-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 |
C38H40F3N5O6
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| Molecular Weight |
719.761
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(OC3CCCCC3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C36H39N5O4.C2HF3O2/c37-36(38)40-29-17-11-25(12-18-29)23-39-35(43)33(27-13-19-30(20-14-27)44-24-26-7-3-1-4-8-26)41-34(42)28-15-21-32(22-16-28)45-31-9-5-2-6-10-31;3-2(4,5)1(6)7/h1,3-4,7-8,11-22,31,33H,2,5-6,9-10,23-24H2,(H,39,43)(H,41,42)(H4,37,38,40);(H,6,7)/t33-;/m0./s1
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| InChIKey |
FDRAVTRHGBWKEK-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