General Information of the Compound
| Compound ID |
CP0551788
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| Compound Name |
N-[2-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
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| Formula |
C38H46F3N7O7
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| Molecular Weight |
769.822
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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)C1CCCC1
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| InChI |
InChI=1S/C36H45N7O5.C2HF3O2/c37-35(43-36(48)40-23-22-38-32(45)28-14-7-8-15-28)39-21-9-16-30(33(46)41-24-25-17-19-29(44)20-18-25)42-34(47)31(26-10-3-1-4-11-26)27-12-5-2-6-13-27;3-2(4,5)1(6)7/h1-6,10-13,17-20,28,30-31,44H,7-9,14-16,21-24H2,(H,38,45)(H,41,46)(H,42,47)(H4,37,39,40,43,48);(H,6,7)/t30-;/m1./s1
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| InChIKey |
BPFZDFKCMUCPDD-VNUFCWELSA-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