General Information of the Compound
| Compound ID |
CP0410893
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| Compound Name |
2-[[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
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| Structure |
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| Formula |
C19H25N3O5
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| Molecular Weight |
375.425
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| Canonical SMILES |
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
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| InChI |
InChI=1S/C19H25N3O5/c1-12(2)7-8-20-18(25)16(22-19(26)27-11-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
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| InChIKey |
IIRJFVOPVAWNSL-INIZCTEOSA-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