General Information of the Compound
| Compound ID |
CP0416738
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| Compound Name |
5-[2-(morpholin-4-ylmethyl)phenyl]-1-N,3-N-bis(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C33H47N5O3
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| Molecular Weight |
561.771
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| Canonical SMILES |
O=C(NCCN1CCCCC1)c1cc(cc(c1)-c1ccccc1CN1CCOCC1)C(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C33H47N5O3/c39-32(34-11-17-36-13-5-1-6-14-36)29-23-28(31-10-4-3-9-27(31)26-38-19-21-41-22-20-38)24-30(25-29)33(40)35-12-18-37-15-7-2-8-16-37/h3-4,9-10,23-25H,1-2,5-8,11-22,26H2,(H,34,39)(H,35,40)
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| InChIKey |
MNJYGSLYOIQUFC-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