General Information of the Compound
| Compound ID |
CP0416735
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| Compound Name |
5-[2-(morpholin-4-ylmethyl)anilino]-1-N,3-N-bis(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C33H48N6O3
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| Molecular Weight |
576.786
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| Canonical SMILES |
O=C(NCCN1CCCCC1)c1cc(Nc2ccccc2CN2CCOCC2)cc(c1)C(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C33H48N6O3/c40-32(34-11-17-37-13-5-1-6-14-37)28-23-29(33(41)35-12-18-38-15-7-2-8-16-38)25-30(24-28)36-31-10-4-3-9-27(31)26-39-19-21-42-22-20-39/h3-4,9-10,23-25,36H,1-2,5-8,11-22,26H2,(H,34,40)(H,35,41)
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| InChIKey |
QIHBXRCCDUYUDA-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