General Information of the Compound
| Compound ID |
CP0540105
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| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-naphthalen-2-ylpropan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C35H40N4O3
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| Molecular Weight |
564.73
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1ccc2ccccc2c1)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C35H40N4O3/c1-27(40)39(24-31-12-8-9-15-34(31)42-2)25-32(23-28-16-17-29-10-6-7-11-30(29)22-28)36-35(41)26-37-18-20-38(21-19-37)33-13-4-3-5-14-33/h3-17,22,32H,18-21,23-26H2,1-2H3,(H,36,41)
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| InChIKey |
USCFRWZCWBRYBB-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