General Information of the Compound
| Compound ID |
CP0442021
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| Compound Name |
N-[1-[acetyl-[(3-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C33H39N5O3
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| Molecular Weight |
553.707
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| Canonical SMILES |
COc1cccc(CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(CC2)c2ccccc2)C(C)=O)c1
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| InChI |
InChI=1S/C33H39N5O3/c1-25(39)38(22-26-9-8-12-30(19-26)41-2)23-28(20-27-21-34-32-14-7-6-13-31(27)32)35-33(40)24-36-15-17-37(18-16-36)29-10-4-3-5-11-29/h3-14,19,21,28,34H,15-18,20,22-24H2,1-2H3,(H,35,40)
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| InChIKey |
UEMMIMGZPQLHRL-UHFFFAOYSA-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