General Information of the Compound
| Compound ID |
CP0498167
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| Compound Name |
methyl 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 |
C18H26N4O3
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| Molecular Weight |
346.431
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| Canonical SMILES |
COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN
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| InChI |
InChI=1S/C18H26N4O3/c1-25-18(24)22-16(17(23)20-10-6-2-5-9-19)11-13-12-21-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,21H,2,5-6,9-11,19H2,1H3,(H,20,23)(H,22,24)/t16-/m0/s1
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| InChIKey |
KMXHWOBFQBVAMO-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