General Information of the Compound
| Compound ID |
CP0385720
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| Compound Name |
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-1-oxo-6-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]hexan-2-yl]carbamate
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| Structure |
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| Formula |
C35H44N4O4
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| Molecular Weight |
584.761
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1
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| InChIKey |
HCTPDRHGXRHJAA-CONSDPRKSA-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