General Information of the Compound
| Compound ID |
CP0636218
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| Compound Name |
1,3,3,5-tetramethyl-7-{3-[(2-pyridin-3-ylethyl)pyridin-4-ylmethylamino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione trihydrochloride
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| Structure |
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| Formula |
C29H38Cl3N5O3
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| Molecular Weight |
611.014
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| Canonical SMILES |
CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccncc3)ccc21.Cl.Cl.Cl
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| InChI |
InChI=1S/C29H35N5O3.3ClH/c1-29(2)27(35)32(3)25-9-8-24(19-26(25)33(4)28(29)36)37-18-6-16-34(21-23-10-14-30-15-11-23)17-12-22-7-5-13-31-20-22;;;/h5,7-11,13-15,19-20H,6,12,16-18,21H2,1-4H3;3*1H
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| InChIKey |
IJNASTIDRONSQX-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