General Information of the Compound
| Compound ID |
CP0567306
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| Compound Name |
3-[4-[4-[4-[3-(1-prop-2-ynylpiperidin-4-yl)propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C34H41N5O
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| Molecular Weight |
535.736
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| Canonical SMILES |
O=C(CCC1CCN(CC#C)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C34H41N5O/c1-2-16-37-18-14-27(15-19-37)7-13-34(40)29-8-10-31(11-9-29)39-22-20-38(21-23-39)17-4-3-5-30-26-36-33-12-6-28(25-35)24-32(30)33/h1,6,8-12,24,26-27,36H,3-5,7,13-23H2
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| InChIKey |
UJOYNUWZWLPODQ-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