General Information of the Compound
| Compound ID |
CP0857820
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| Compound Name |
3-(1H-Indol-3-yl)-N-phenethyl-2-(2-phenylacetylamino-propionylamino)-propionamide
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| Structure |
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C30H32N4O3/c1-21(33-28(35)18-23-12-6-3-7-13-23)29(36)34-27(19-24-20-32-26-15-9-8-14-25(24)26)30(37)31-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,32H,16-19H2,1H3,(H,31,37)(H,33,35)(H,34,36)/t21-,27-/m0/s1
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| InChIKey |
PNHRJAUECMFZID-IDISGSTGSA-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