General Information of the Compound
| Compound ID |
CP0870424
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| Compound Name |
(2R)-Methyl 2-[(2'S)-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoate
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-21(15-18-16-27-20-13-9-8-12-19(18)20)23(30)28-22(24(31)33-4)14-17-10-6-5-7-11-17/h5-13,16,21-22,27H,14-15H2,1-4H3,(H,28,30)(H,29,32)/t21-,22+/m0/s1
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| InChIKey |
BHPJYWAIFNMZLM-FCHUYYIVSA-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