General Information of the Compound
| Compound ID |
CP0550597
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| Compound Name |
(2R)-5-[[amino-[[methyl-[(1-phenyltriazol-4-yl)methyl]carbamoyl]amino]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 |
C40H42F3N9O6
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| Molecular Weight |
801.827
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| Canonical SMILES |
OC(=O)C(F)(F)F.CN(Cc1cn(nn1)-c1ccccc1)C(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C38H41N9O4.C2HF3O2/c1-46(25-30-26-47(45-44-30)31-16-9-4-10-17-31)38(51)43-37(39)40-23-11-18-33(35(49)41-24-27-19-21-32(48)22-20-27)42-36(50)34(28-12-5-2-6-13-28)29-14-7-3-8-15-29;3-2(4,5)1(6)7/h2-10,12-17,19-22,26,33-34,48H,11,18,23-25H2,1H3,(H,41,49)(H,42,50)(H3,39,40,43,51);(H,6,7)/t33-;/m1./s1
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| InChIKey |
REUYRIXDFXFWFH-MGDILKBHSA-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