General Information of the Compound
| Compound ID |
CP0636065
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| Compound Name |
1,3,3,5-tetramethyl-7-{3-[(2-pyridin-3-ylethyl)-(quinolin-4-ylmethyl)amino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione trihydrochloride
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| Structure |
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| Formula |
C33H40Cl3N5O3
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| Molecular Weight |
661.074
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| Canonical SMILES |
CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21.Cl.Cl.Cl
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| InChI |
InChI=1S/C33H37N5O3.3ClH/c1-33(2)31(39)36(3)29-13-12-26(21-30(29)37(4)32(33)40)41-20-8-18-38(19-15-24-9-7-16-34-22-24)23-25-14-17-35-28-11-6-5-10-27(25)28;;;/h5-7,9-14,16-17,21-22H,8,15,18-20,23H2,1-4H3;3*1H
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| InChIKey |
VGQAWTWLDNYFHF-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