General Information of the Compound
| Compound ID |
CP0956949
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| Compound Name |
1-[2-[2-[2-[[4-[(1S,2S)-4,6-dichloro-2-(dimethylamino)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[[[4-[(1S,2S)-4,6-dichloro-2-(dimethylamino)indan-1-yl]oxyphenyl]sulfonyl-methyl-amino]methoxy]ethoxy]ethylcarbamoylamino]butyl]urea
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| Structure |
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| Formula |
C52H70Cl4N8O12S2
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| Molecular Weight |
1205.122
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| Canonical SMILES |
CN(C)[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1Oc1ccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCN(C)S(=O)(=O)c2ccc(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N(C)C)cc2)cc1
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| InChI |
InChI=1S/C52H70Cl4N8O12S2/c1-62(2)47-32-41-43(28-35(53)30-45(41)55)49(47)75-37-8-12-39(13-9-37)77(67,68)61-20-23-73-25-24-71-21-18-59-51(65)57-16-6-7-17-58-52(66)60-19-22-72-26-27-74-34-64(5)78(69,70)40-14-10-38(11-15-40)76-50-44-29-36(54)31-46(56)42(44)33-48(50)63(3)4/h8-15,28-31,47-50,61H,6-7,16-27,32-34H2,1-5H3,(H2,57,59,65)(H2,58,60,66)/t47-,48-,49-,50-/m0/s1
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| InChIKey |
OCUNVCAWAYDXJE-SIAPTGDMSA-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