General Information of the Compound
| Compound ID |
CP0577896
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| Compound Name |
3-(1-benzylpiperidin-4-yl)-1-[4-[4-[4-(5,6-dichloro-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]propan-1-one
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| Structure |
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| Formula |
C37H44Cl2N4O
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| Molecular Weight |
631.692
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| Canonical SMILES |
Clc1cc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2cc1Cl
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| InChI |
InChI=1S/C37H44Cl2N4O/c38-34-24-33-31(26-40-36(33)25-35(34)39)8-4-5-17-41-20-22-43(23-21-41)32-12-10-30(11-13-32)37(44)14-9-28-15-18-42(19-16-28)27-29-6-2-1-3-7-29/h1-3,6-7,10-13,24-26,28,40H,4-5,8-9,14-23,27H2
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| InChIKey |
ARRNKUHWBQIICE-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