General Information of the Compound
| Compound ID |
CP0391123
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| Compound Name |
tert-butyl N-[(5S)-6-(2,2-diphenylethylamino)-6-oxo-5-[[(3S)-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexyl]carbamate
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| Structure |
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| Formula |
C45H52N4O6
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| Molecular Weight |
744.933
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C45H52N4O6/c1-45(2,3)55-44(54)46-28-16-15-25-38(42(52)47-30-37(32-17-7-4-8-18-32)33-19-9-5-10-20-33)48-43(53)39-29-35-23-13-14-24-36(35)31-49(39)41(51)27-26-40(50)34-21-11-6-12-22-34/h4-14,17-24,37-39H,15-16,25-31H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)/t38-,39-/m0/s1
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| InChIKey |
GNVWJABJQSHDON-YDAXCOIMSA-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