General Information of the Compound
| Compound ID |
CP0511717
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| Compound Name |
(2-methyl-1-phenylpropyl) N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
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| Structure |
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| Formula |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
CC(C)C(OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H35N3O3/c1-21(2)28(24-15-9-6-10-16-24)37-30(36)34-31(4,19-25-20-32-27-18-12-11-17-26(25)27)29(35)33-22(3)23-13-7-5-8-14-23/h5-18,20-22,28,32H,19H2,1-4H3,(H,33,35)(H,34,36)/t22-,28?,31+/m0/s1
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| InChIKey |
DMJGWNANMMZGIM-QQEWOADOSA-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