General Information of the Compound
| Compound ID |
CP0542635
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| Compound Name |
3-[4-[4-[(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-1-oxo-3H-inden-5-yl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C39H43N5O
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| Molecular Weight |
597.807
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| Canonical SMILES |
O=C1\C(Cc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)=C\C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C39H43N5O/c40-26-31-9-12-38-37(23-31)32(27-41-38)8-4-5-15-42-18-20-44(21-19-42)35-10-11-36-33(25-35)24-34(39(36)45)22-29-13-16-43(17-14-29)28-30-6-2-1-3-7-30/h1-3,6-7,9-12,22-23,25,27,29,41H,4-5,8,13-21,24,28H2/b34-22+
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| InChIKey |
WPCLCSAXSXEBAP-PPOKSSTKSA-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