General Information of the Compound
| Compound ID |
CP0529845
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| Compound Name |
N-[1-[ethyl-[(2-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 |
C33H41N5O2
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| Molecular Weight |
539.724
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| Canonical SMILES |
CCN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC
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| InChI |
InChI=1S/C33H41N5O2/c1-3-36(23-26-11-7-10-16-32(26)40-2)24-28(21-27-22-34-31-15-9-8-14-30(27)31)35-33(39)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,34H,3,17-21,23-25H2,1-2H3,(H,35,39)
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| InChIKey |
YSNJFMSCCAMDGK-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