General Information of the Compound
| Compound ID |
CP0496840
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| Compound Name |
4-aminobutyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C21H33N5O3
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| Molecular Weight |
403.527
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| Canonical SMILES |
NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN
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| InChI |
InChI=1S/C21H33N5O3/c22-10-4-1-6-12-24-20(27)19(26-21(28)29-13-7-5-11-23)14-16-15-25-18-9-3-2-8-17(16)18/h2-3,8-9,15,19,25H,1,4-7,10-14,22-23H2,(H,24,27)(H,26,28)/t19-/m0/s1
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| InChIKey |
FSRBPFISLYFCQS-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