General Information of the Compound
| Compound ID |
CP0402207
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| Compound Name |
2-[[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
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| Structure |
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| Formula |
C18H23N3O5
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| Molecular Weight |
361.398
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| Canonical SMILES |
CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
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| InChI |
InChI=1S/C18H23N3O5/c1-11(2)8-20-17(24)15(21-18(25)26-10-16(22)23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,11,15,19H,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
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| InChIKey |
UZJMFTZTANKNSL-HNNXBMFYSA-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