General Information of the Compound
| Compound ID |
CP0526719
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| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C)CC1)C(C)=O
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| InChI |
InChI=1S/C28H37N5O3/c1-21(34)33(18-22-8-4-7-11-27(22)36-3)19-24(16-23-17-29-26-10-6-5-9-25(23)26)30-28(35)20-32-14-12-31(2)13-15-32/h4-11,17,24,29H,12-16,18-20H2,1-3H3,(H,30,35)
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| InChIKey |
METKAKBIYIJIEG-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