General Information of the Compound
| Compound ID |
CP0405155
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| Compound Name |
1H-imidazol-5-ylmethyl 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 |
C26H26N6O3
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| Molecular Weight |
470.533
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1cnc[nH]1
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| InChI |
InChI=1S/C26H26N6O3/c33-25(28-10-9-17-12-29-22-7-3-1-5-20(17)22)24(32-26(34)35-15-19-14-27-16-31-19)11-18-13-30-23-8-4-2-6-21(18)23/h1-8,12-14,16,24,29-30H,9-11,15H2,(H,27,31)(H,28,33)(H,32,34)/t24-/m0/s1
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| InChIKey |
VKTIKXABSICUSS-DEOSSOPVSA-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