General Information of the Compound
| Compound ID |
CP0553602
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| Compound Name |
(2R)-5-[[(3-acetamidopropylcarbamoylamino)-aminomethylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C35H42F3N7O7
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| Molecular Weight |
729.757
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| Canonical SMILES |
OC(=O)C(F)(F)F.CC(=O)NCCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C33H41N7O5.C2HF3O2/c1-23(41)35-20-9-21-37-33(45)40-32(34)36-19-8-14-28(30(43)38-22-24-15-17-27(42)18-16-24)39-31(44)29(25-10-4-2-5-11-25)26-12-6-3-7-13-26;3-2(4,5)1(6)7/h2-7,10-13,15-18,28-29,42H,8-9,14,19-22H2,1H3,(H,35,41)(H,38,43)(H,39,44)(H4,34,36,37,40,45);(H,6,7)/t28-;/m1./s1
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| InChIKey |
QDSXZCXLJXFHQJ-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