General Information of the Compound
| Compound ID |
CP0399126
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| Compound Name |
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-2-(5-oxo-5-phenylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexan-2-yl]carbamate
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| Structure |
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| Formula |
C46H54N4O6
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| Molecular Weight |
758.96
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C46H54N4O6/c1-46(2,3)56-45(55)49-39(43(53)48-31-38(33-18-7-4-8-19-33)34-20-9-5-10-21-34)26-15-16-29-47-44(54)40-30-36-24-13-14-25-37(36)32-50(40)42(52)28-17-27-41(51)35-22-11-6-12-23-35/h4-14,18-25,38-40H,15-17,26-32H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1
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| InChIKey |
PHHXQMUBXKXSHA-ZAQUEYBZSA-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