General Information of the Compound
| Compound ID |
CP0370425
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| Compound Name |
1,4-benzodiazepine-2,5-dione antagonist, 5
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| Structure |
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| Formula |
C28H24Cl2IN3O5
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| Molecular Weight |
680.326
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| Canonical SMILES |
OC(=O)CCCCNC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H24Cl2IN3O5/c29-18-8-4-16(5-9-18)24(26(37)32-14-2-1-3-23(35)36)34-25(17-6-10-19(30)11-7-17)27(38)33-22-13-12-20(31)15-21(22)28(34)39/h4-13,15,24-25H,1-3,14H2,(H,32,37)(H,33,38)(H,35,36)/t24-,25-/m0/s1
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| InChIKey |
ANYUCRJJKHLZON-DQEYMECFSA-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