General Information of the Compound
| Compound ID |
CP0329893
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| Compound Name |
N-[(1S)-2-[[4-(diaminomethylideneamino)phenyl]methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-5-thiophen-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C34H30F3N5O5S2
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| Molecular Weight |
709.772
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(s2)-c2cccs2)c2ccc(OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C32H29N5O3S2.C2HF3O2/c33-32(34)36-24-12-8-21(9-13-24)19-35-31(39)29(37-30(38)28-17-16-27(42-28)26-7-4-18-41-26)23-10-14-25(15-11-23)40-20-22-5-2-1-3-6-22;3-2(4,5)1(6)7/h1-18,29H,19-20H2,(H,35,39)(H,37,38)(H4,33,34,36);(H,6,7)/t29-;/m0./s1
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| InChIKey |
JESKTXBZAZLQKY-JMAPEOGHSA-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