General Information of the Compound
| Compound ID |
CP0955534
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| Compound Name |
(S)-2-(2-(1H-indol-3-yl)-2-oxoacetamido)-N4-tert-butyl-N1-((S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl)succinamide
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| Structure |
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| Formula |
C32H35N5O5
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| Molecular Weight |
569.662
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12
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| InChI |
InChI=1S/C32H35N5O5/c1-19(29(40)34-17-21-12-9-11-20-10-5-6-13-22(20)21)35-30(41)26(16-27(38)37-32(2,3)4)36-31(42)28(39)24-18-33-25-15-8-7-14-23(24)25/h5-15,18-19,26,33H,16-17H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,37,38)/t19-,26-/m0/s1
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| InChIKey |
WHUGWHDKPJKEDN-SIBVEZHUSA-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