General Information of the Compound
| Compound ID |
CP0537729
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| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(dimethylamino)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C30H41N5O3
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| Molecular Weight |
519.69
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| Canonical SMILES |
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N(C)C)C(C)=O
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| InChI |
InChI=1S/C30H41N5O3/c1-22(36)35(19-23-9-5-8-12-29(23)38-4)20-25(17-24-18-31-28-11-7-6-10-27(24)28)32-30(37)21-34-15-13-26(14-16-34)33(2)3/h5-12,18,25-26,31H,13-17,19-21H2,1-4H3,(H,32,37)
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| InChIKey |
PSVBEJHDFMPFJD-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