General Information of the Compound
| Compound ID |
CP0439633
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| Compound Name |
4-amino-5-chloro-N-[1-[2-[2-(1H-indol-3-yl)ethyl-methylamino]ethyl]piperidin-4-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C26H34ClN5O2
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| Molecular Weight |
484.044
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN(C)CCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C26H34ClN5O2/c1-31(10-7-18-17-29-24-6-4-3-5-20(18)24)13-14-32-11-8-19(9-12-32)30-26(33)21-15-22(27)23(28)16-25(21)34-2/h3-6,15-17,19,29H,7-14,28H2,1-2H3,(H,30,33)
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| InChIKey |
VXWHRINFFXWLFZ-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