General Information of the Compound
| Compound ID |
CP0662930
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| Compound Name |
1-benzyl-N-(4-(4-(1-(phenylsulfonyl)-1H-indol-4-yl)piperazin-1-yl)butyl)piperidin-4-amine hydrochloride
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| Structure |
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| Formula |
C34H44ClN5O2S
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| Molecular Weight |
622.279
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| Canonical SMILES |
Cl.O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCNC4CCN(Cc5ccccc5)CC4)CC3)cccc21
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| InChI |
InChI=1S/C34H43N5O2S.ClH/c40-42(41,31-12-5-2-6-13-31)39-23-18-32-33(14-9-15-34(32)39)38-26-24-36(25-27-38)20-8-7-19-35-30-16-21-37(22-17-30)28-29-10-3-1-4-11-29;/h1-6,9-15,18,23,30,35H,7-8,16-17,19-22,24-28H2;1H
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| InChIKey |
XMYWZBKWWRUGHX-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