General Information of the Compound
| Compound ID |
CP0503273
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| Compound Name |
N-[(2R)-1-[acetyl-[(2-methoxyphenyl)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 |
C32H33N5O4
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| Molecular Weight |
551.647
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| Canonical SMILES |
COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(cc1)-n1ccnc1)C(C)=O
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| InChI |
InChI=1S/C32H33N5O4/c1-23(38)37(19-24-7-3-6-10-31(24)40-2)20-26(17-25-18-34-30-9-5-4-8-29(25)30)35-32(39)21-41-28-13-11-27(12-14-28)36-16-15-33-22-36/h3-16,18,22,26,34H,17,19-21H2,1-2H3,(H,35,39)/t26-/m1/s1
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| InChIKey |
PMULXNMITWTMFV-AREMUKBSSA-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