General Information of the Compound
| Compound ID |
CP0186242
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| Compound Name |
N,N-diethyl-4-[[8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
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| Structure |
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| Formula |
C35H39N3O
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| Molecular Weight |
517.717
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C35H39N3O/c1-3-37(4-2)35(39)27-16-14-26(15-17-27)34(25-10-6-5-7-11-25)29-22-30-18-19-31(23-29)38(30)21-20-28-24-36-33-13-9-8-12-32(28)33/h5-17,24,30-31,36H,3-4,18-23H2,1-2H3
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| InChIKey |
YFPRKFGAQHXTFR-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