General Information of the Compound
| Compound ID |
CP0515213
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| Compound Name |
(S)-4-carbamimidoyl-N-(4-(1-(2,4-dichloro-3-((2,4-dimethylquinolin-8-yloxy)methyl)phenylsulfonyl)pyrrolidin-2-yl)-4-oxobutyl)benzamide
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| Structure |
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| Formula |
C34H35Cl2N5O5S
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| Molecular Weight |
696.657
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)CCCNC(=O)c3ccc(cc3)C(N)=N)c2n1
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| InChI |
InChI=1S/C34H35Cl2N5O5S/c1-20-18-21(2)40-32-24(20)6-3-9-29(32)46-19-25-26(35)14-15-30(31(25)36)47(44,45)41-17-5-7-27(41)28(42)8-4-16-39-34(43)23-12-10-22(11-13-23)33(37)38/h3,6,9-15,18,27H,4-5,7-8,16-17,19H2,1-2H3,(H3,37,38)(H,39,43)/t27-/m0/s1
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| InChIKey |
MGXIZCAUYCJXAE-MHZLTWQESA-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