General Information of the Compound
| Compound ID |
CP0940208
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| Compound Name |
5-(4-(carboxy(4-chlorophenyl)methyl)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-2,3,4,5-tetrahydrobenzo[e][1,4]diazepin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C28H23Cl2IN2O6
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| Molecular Weight |
681.31
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| Canonical SMILES |
O=C(O)CCCCN1C(=O)C(c2ccc(Cl)cc2)N(C(C(=O)O)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21
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| InChI |
InChI=1S/C28H23Cl2IN2O6/c29-18-8-4-16(5-9-18)24-27(37)32(14-2-1-3-23(34)35)22-13-12-20(31)15-21(22)26(36)33(24)25(28(38)39)17-6-10-19(30)11-7-17/h4-13,15,24-25H,1-3,14H2,(H,34,35)(H,38,39)
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| InChIKey |
JFDPWVMFHFOLFW-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