General Information of the Compound
| Compound ID |
CP0495455
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| Compound Name |
N-[(2R)-1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-imidazol-1-ylphenoxy)acetamide
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| Structure |
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| Formula |
C31H30ClN5O3
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| Molecular Weight |
556.066
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| Canonical SMILES |
CC(=O)N(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(cc1)-n1ccnc1)Cc1ccccc1Cl
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| InChI |
InChI=1S/C31H30ClN5O3/c1-22(38)37(18-23-6-2-4-8-29(23)32)19-25(16-24-17-34-30-9-5-3-7-28(24)30)35-31(39)20-40-27-12-10-26(11-13-27)36-15-14-33-21-36/h2-15,17,21,25,34H,16,18-20H2,1H3,(H,35,39)/t25-/m1/s1
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| InChIKey |
RVPQJRAPQSRRCJ-RUZDIDTESA-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