General Information of the Compound
| Compound ID |
CP0542640
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| Compound Name |
3-[[4-[4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C34H38N6O
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| Molecular Weight |
546.719
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| Canonical SMILES |
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C34H38N6O/c35-21-27-3-9-33-32(20-27)30(23-37-33)25-39-16-18-40(19-17-39)31-7-5-29(6-8-31)34(41)10-4-26-11-14-38(15-12-26)24-28-2-1-13-36-22-28/h1-3,5-9,13,20,22-23,26,37H,4,10-12,14-19,24-25H2
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| InChIKey |
NABQFUFPOOPQTI-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