General Information of the Compound
| Compound ID |
CP0372483
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| Compound Name |
4-amino-5-chloro-N-[1-[8-[2-(1H-indol-3-yl)ethyl-methylamino]octyl]piperidin-4-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C32H46ClN5O2
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| Molecular Weight |
568.206
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN(C)CCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C32H46ClN5O2/c1-37(18-13-24-23-35-30-12-8-7-11-26(24)30)16-9-5-3-4-6-10-17-38-19-14-25(15-20-38)36-32(39)27-21-28(33)29(34)22-31(27)40-2/h7-8,11-12,21-23,25,35H,3-6,9-10,13-20,34H2,1-2H3,(H,36,39)
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| InChIKey |
AEPMXCLJHNXORS-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