General Information of the Compound
| Compound ID |
CP0355893
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| Compound Name |
3-cyano-5-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Structure |
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| Formula |
C35H40N6O
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| Molecular Weight |
560.746
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| Canonical SMILES |
O=C(NCCCN1CCCC1)c1cc(cc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1)C#N
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| InChI |
InChI=1S/C35H40N6O/c36-25-27-22-29(24-30(23-27)35(42)37-13-7-16-39-14-5-6-15-39)32-9-2-4-11-34(32)41-20-18-40(19-21-41)17-12-28-26-38-33-10-3-1-8-31(28)33/h1-4,8-11,22-24,26,38H,5-7,12-21H2,(H,37,42)
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| InChIKey |
YOQNKQZUYYPRKE-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