General Information of the Compound
| Compound ID |
CP0639435
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-{[2-(4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]pyridin-3-ylmethylamino}-propoxy)-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
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| Structure |
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| Formula |
C32H37N5O5
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| Molecular Weight |
571.678
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3)ccc21
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| InChI |
InChI=1S/C32H37N5O5/c1-5-37-26-10-9-24(20-27(26)34(4)30(39)32(2,3)31(37)40)41-18-7-14-35(22-23-8-6-13-33-21-23)16-17-36-15-11-28-25(29(36)38)12-19-42-28/h6,8-13,15,19-21H,5,7,14,16-18,22H2,1-4H3
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| InChIKey |
CVPXSNZJVBVYFQ-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