General Information of the Compound
| Compound ID |
CP0897725
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| Compound Name |
N,N'-(butane-1,4-diyl)bis(2-(2-(2-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)acetamido)acetamido)acetamide)
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| Structure |
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| Formula |
C48H56Cl4N10O10S2
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| Molecular Weight |
1138.982
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(=O)NCCCCNC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1
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| InChI |
InChI=1S/C48H56Cl4N10O10S2/c1-61-25-37(35-15-31(49)17-41(51)39(35)27-61)29-5-9-33(10-6-29)73(69,70)59-23-47(67)57-21-45(65)55-19-43(63)53-13-3-4-14-54-44(64)20-56-46(66)22-58-48(68)24-60-74(71,72)34-11-7-30(8-12-34)38-26-62(2)28-40-36(38)16-32(50)18-42(40)52/h5-12,15-18,37-38,59-60H,3-4,13-14,19-28H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)
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| InChIKey |
IIAFEYNFBCSAQK-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