General Information of the Compound
| Compound ID |
CP0938798
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| Compound Name |
5-((S)-3-(4-chlorophenyl)-4-(1-(4-chlorophenyl)-2-methoxy-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 |
C29H25Cl2IN2O6
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| Molecular Weight |
695.337
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| Canonical SMILES |
COC(=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/C29H25Cl2IN2O6/c1-40-29(39)26(18-7-11-20(31)12-8-18)34-25(17-5-9-19(30)10-6-17)28(38)33(15-3-2-4-24(35)36)23-14-13-21(32)16-22(23)27(34)37/h5-14,16,25-26H,2-4,15H2,1H3,(H,35,36)/t25-,26?/m0/s1
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| InChIKey |
KXKHVDIJDBRCHO-PMCHYTPCSA-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