General Information of the Compound
| Compound ID |
CP0577451
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| Compound Name |
3-[4-[4-[2-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C38H45N5O
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| Molecular Weight |
587.812
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| Canonical SMILES |
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C38H45N5O/c39-27-32-13-15-36-35(26-32)33(28-40-36)10-6-7-19-41-22-24-43(25-23-41)37-12-5-4-11-34(37)38(44)16-14-30-17-20-42(21-18-30)29-31-8-2-1-3-9-31/h1-5,8-9,11-13,15,26,28,30,40H,6-7,10,14,16-25,29H2
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| InChIKey |
GOZTXBNXXQOHSL-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