General Information of the Compound
| Compound ID |
CP0453466
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2R)-1-[[9-(dimethylamino)-9-oxononyl]amino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C35H52N4O5
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| Molecular Weight |
608.824
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| Canonical SMILES |
CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C35H52N4O5/c1-34(2,3)44-33(43)37-29(25-27-19-13-11-14-20-27)31(41)38-35(4,26-28-21-15-12-16-22-28)32(42)36-24-18-10-8-7-9-17-23-30(40)39(5)6/h11-16,19-22,29H,7-10,17-18,23-26H2,1-6H3,(H,36,42)(H,37,43)(H,38,41)/t29-,35+/m0/s1
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| InChIKey |
ZAVVKFAGSUSJJR-WHMAPKLYSA-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