General Information of the Compound
| Compound ID |
CP0403845
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| Compound Name |
(2R)-5-[[amino-[[1-(4-aminophenyl)triazol-4-yl]methylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C39H41F3N10O6
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| Molecular Weight |
802.815
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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)NCc1cn(nn1)-c1ccc(N)cc1
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| InChI |
InChI=1S/C37H40N10O4.C2HF3O2/c38-28-15-17-30(18-16-28)47-24-29(45-46-47)23-42-37(51)44-36(39)40-21-7-12-32(34(49)41-22-25-13-19-31(48)20-14-25)43-35(50)33(26-8-3-1-4-9-26)27-10-5-2-6-11-27;3-2(4,5)1(6)7/h1-6,8-11,13-20,24,32-33,48H,7,12,21-23,38H2,(H,41,49)(H,43,50)(H4,39,40,42,44,51);(H,6,7)/t32-;/m1./s1
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| InChIKey |
JWCYTMCTVWVWLY-RYWNGCACSA-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