General Information of the Compound
| Compound ID |
CP0633648
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-{[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]pyridin-4-ylmethyl-amino}propoxy)-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione dihydrochloride
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| Structure |
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| Formula |
C33H41Cl2N5O5
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| Molecular Weight |
658.627
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)ccc21.Cl.Cl
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| InChI |
InChI=1S/C33H39N5O5.2ClH/c1-6-38-27-9-8-25(21-28(27)35(5)31(40)33(3,4)32(38)41)42-19-7-15-36(22-24-10-13-34-14-11-24)17-18-37-16-12-29-26(30(37)39)20-23(2)43-29;;/h8-14,16,20-21H,6-7,15,17-19,22H2,1-5H3;2*1H
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| InChIKey |
IZBBPKRHWWFHSH-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