General Information of the Compound
| Compound ID |
CP0850007
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| Compound Name |
3-(1H-Indol-3-yl)-N-phenethyl-2-[2-(2-pyridin-3-yl-acetylamino)-propionylamino]-propionamide
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| Structure |
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| Formula |
C29H31N5O3
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| Molecular Weight |
497.599
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| Canonical SMILES |
C[C@H](NC(=O)Cc1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C29H31N5O3/c1-20(33-27(35)16-22-10-7-14-30-18-22)28(36)34-26(17-23-19-32-25-12-6-5-11-24(23)25)29(37)31-15-13-21-8-3-2-4-9-21/h2-12,14,18-20,26,32H,13,15-17H2,1H3,(H,31,37)(H,33,35)(H,34,36)/t20-,26-/m0/s1
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| InChIKey |
NKJSFZDQEZUOJT-FNZWTVRRSA-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