General Information of the Compound
| Compound ID |
CP0402905
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| Compound Name |
11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-5-methyl-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepine-11-carbonitrile
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| Structure |
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| Formula |
C30H30ClN3O2
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| Molecular Weight |
500.042
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| Canonical SMILES |
CN1c2ccccc2C(CCCN2CCC(O)(CC2)c2ccc(Cl)cc2)(C#N)c2ccccc2C1=O
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| InChI |
InChI=1S/C30H30ClN3O2/c1-33-27-10-5-4-9-26(27)29(21-32,25-8-3-2-7-24(25)28(33)35)15-6-18-34-19-16-30(36,17-20-34)22-11-13-23(31)14-12-22/h2-5,7-14,36H,6,15-20H2,1H3
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| InChIKey |
CBUFKJIVRCPPNA-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