General Information of the Compound
| Compound ID |
CP0553605
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| Compound Name |
N-[2-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
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| Formula |
C37H44F3N7O7
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| Molecular Weight |
755.795
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| Canonical SMILES |
OC(=O)C(F)(F)F.N\C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=N\C(=O)NCCNC(=O)C1CCC1
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| InChI |
InChI=1S/C35H43N7O5.C2HF3O2/c36-34(42-35(47)39-22-21-37-31(44)27-13-7-14-27)38-20-8-15-29(32(45)40-23-24-16-18-28(43)19-17-24)41-33(46)30(25-9-3-1-4-10-25)26-11-5-2-6-12-26;3-2(4,5)1(6)7/h1-6,9-12,16-19,27,29-30,43H,7-8,13-15,20-23H2,(H,37,44)(H,40,45)(H,41,46)(H4,36,38,39,42,47);(H,6,7)/t29-;/m1./s1
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| InChIKey |
BXPNBFJCPFDHGI-XXIQNXCHSA-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