General Information of the Compound
| Compound ID |
CP0465022
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| Compound Name |
benzyl N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C21H23N3O4
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| Molecular Weight |
381.432
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| Canonical SMILES |
OCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C21H23N3O4/c25-11-10-22-20(26)19(12-16-13-23-18-9-5-4-8-17(16)18)24-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,23,25H,10-12,14H2,(H,22,26)(H,24,27)/t19-/m0/s1
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| InChIKey |
ZLCDQPMGCWBOOS-IBGZPJMESA-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