General Information of the Compound
| Compound ID |
CP0498095
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| Compound Name |
2-(1H-indol-3-yl)ethyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H28N6O3/c34-26(29-11-9-20-16-28-17-32-20)25(13-19-15-31-24-8-4-2-6-22(19)24)33-27(35)36-12-10-18-14-30-23-7-3-1-5-21(18)23/h1-8,14-17,25,30-31H,9-13H2,(H,28,32)(H,29,34)(H,33,35)/t25-/m0/s1
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| InChIKey |
XSPXCFFWWXNIEV-VWLOTQADSA-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