General Information of the Compound
| Compound ID |
CP0824303
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| Compound Name |
5-((S)-3-(4-chlorophenyl)-4-(1-(4-chlorophenyl)-2-(diethylamino)-2-oxoethyl)-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 |
C32H32Cl2IN3O5
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| Molecular Weight |
736.434
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| Canonical SMILES |
CCN(CC)C(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H32Cl2IN3O5/c1-3-36(4-2)31(42)28(20-8-12-22(33)13-9-20)38-29(21-10-14-23(34)15-11-21)32(43)37(18-6-5-7-27(39)40)26-17-16-24(35)19-25(26)30(38)41/h8-17,19,28-29H,3-7,18H2,1-2H3,(H,39,40)/t28?,29-/m0/s1
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| InChIKey |
MHOPTQKTBICWMN-XIJSCUBXSA-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