General Information of the Compound
| Compound ID |
CP0553604
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| Compound Name |
N-[2-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
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| Formula |
C36H42F3N7O7
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| Molecular Weight |
741.768
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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)C1CC1
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| InChI |
InChI=1S/C34H41N7O5.C2HF3O2/c35-33(41-34(46)38-21-20-36-30(43)26-15-16-26)37-19-7-12-28(31(44)39-22-23-13-17-27(42)18-14-23)40-32(45)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25;3-2(4,5)1(6)7/h1-6,8-11,13-14,17-18,26,28-29,42H,7,12,15-16,19-22H2,(H,36,43)(H,39,44)(H,40,45)(H4,35,37,38,41,46);(H,6,7)/t28-;/m1./s1
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| InChIKey |
JCIOVXGSDYPLCL-LNLSOMNWSA-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