General Information of the Compound
| Compound ID |
CP0424420
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| Compound Name |
propan-2-yl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H28N4O3/c1-16(2)32-25(31)29-23(13-18-15-28-22-10-6-4-8-20(18)22)24(30)26-12-11-17-14-27-21-9-5-3-7-19(17)21/h3-10,14-16,23,27-28H,11-13H2,1-2H3,(H,26,30)(H,29,31)/t23-/m0/s1
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| InChIKey |
IXCDIIJZUJIVRP-QHCPKHFHSA-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
Protein ID: PT02963, Neuromedin-B receptor
Protein ID: PT01199, Neuromedin-K receptor