General Information of the Compound
| Compound ID |
CP0451506
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| Compound Name |
(2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-phenylcyclopropyl)methyl]propanamide
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| Structure |
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| Formula |
C28H27N5O4
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| Molecular Weight |
497.555
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H27N5O4/c34-26(30-18-28(14-15-28)20-6-2-1-3-7-20)25(16-19-17-29-24-9-5-4-8-23(19)24)32-27(35)31-21-10-12-22(13-11-21)33(36)37/h1-13,17,25,29H,14-16,18H2,(H,30,34)(H2,31,32,35)/t25-/m0/s1
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| InChIKey |
PTQOPEVIFLGQLE-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