General Information of the Compound
| Compound ID |
CP0576306
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| Compound Name |
3-[4-[4-[4-[3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C38H44FN5O
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| Molecular Weight |
605.802
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| Canonical SMILES |
Fc1ccccc1CN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
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| InChI |
InChI=1S/C38H44FN5O/c39-36-7-2-1-6-33(36)28-43-19-16-29(17-20-43)9-15-38(45)31-10-12-34(13-11-31)44-23-21-42(22-24-44)18-4-3-5-32-27-41-37-14-8-30(26-40)25-35(32)37/h1-2,6-8,10-14,25,27,29,41H,3-5,9,15-24,28H2
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| InChIKey |
BTBDCCSIYWITRP-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