General Information of the Compound
| Compound ID |
CP0420768
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| Compound Name |
N-[1-[acetyl-[(2-methylphenyl)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 |
C33H39N5O2
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| Molecular Weight |
537.708
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| Canonical SMILES |
CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1C
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| InChI |
InChI=1S/C33H39N5O2/c1-25-10-6-7-11-27(25)22-38(26(2)39)23-29(20-28-21-34-32-15-9-8-14-31(28)32)35-33(40)24-36-16-18-37(19-17-36)30-12-4-3-5-13-30/h3-15,21,29,34H,16-20,22-24H2,1-2H3,(H,35,40)
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| InChIKey |
WOVHRORTUHOAOD-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