General Information of the Compound
| Compound ID |
CP0494322
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| Compound Name |
2-methylpropyl 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 |
C21H32N4O3
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| Molecular Weight |
388.512
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| Canonical SMILES |
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN
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| InChI |
InChI=1S/C21H32N4O3/c1-15(2)14-28-21(27)25-19(20(26)23-11-7-3-6-10-22)12-16-13-24-18-9-5-4-8-17(16)18/h4-5,8-9,13,15,19,24H,3,6-7,10-12,14,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1
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| InChIKey |
IIPVMVJYCSYFEH-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