General Information of the Compound
| Compound ID |
CP0393446
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| Compound Name |
4-aminobutyl N-[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C21H32N4O3
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| Molecular Weight |
388.512
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| Canonical SMILES |
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN
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| InChI |
InChI=1S/C21H32N4O3/c1-15(2)9-11-23-20(26)19(25-21(27)28-12-6-5-10-22)13-16-14-24-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,19,24H,5-6,9-13,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1
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| InChIKey |
UFBGJICNPAXIJT-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