General Information of the Compound
| Compound ID |
CP0377583
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| Compound Name |
(S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(toluene-4-sulfonyl)-piperazine-1-carbonyl]-amino}-propionylamino)-hexanoic acid tert-butyl ester
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| Structure |
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| Formula |
C33H46N6O6S
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| Molecular Weight |
654.834
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C33H46N6O6S/c1-23-12-14-25(15-13-23)46(43,44)39-19-17-38(18-20-39)32(42)37-29(21-24-22-35-27-10-6-5-9-26(24)27)30(40)36-28(11-7-8-16-34)31(41)45-33(2,3)4/h5-6,9-10,12-15,22,28-29,35H,7-8,11,16-21,34H2,1-4H3,(H,36,40)(H,37,42)/t28-,29+/m0/s1
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| InChIKey |
KSVPPPPQZURBAT-URLMMPGGSA-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