General Information of the Compound
| Compound ID |
CP0542516
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| Compound Name |
2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
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| Structure |
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| Formula |
C30H30N4O3
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| Molecular Weight |
494.595
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C30H30N4O3/c35-29(31-16-14-21-8-2-1-3-9-21)28(18-23-20-33-27-13-7-5-11-25(23)27)34-30(36)37-17-15-22-19-32-26-12-6-4-10-24(22)26/h1-13,19-20,28,32-33H,14-18H2,(H,31,35)(H,34,36)/t28-/m0/s1
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| InChIKey |
CIYKHIHQWBCGKL-NDEPHWFRSA-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