General Information of the Compound
| Compound ID |
CP0849494
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| Compound Name |
SID49646446
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| Structure |
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| Formula |
C25H26Cl2N2O3
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| Molecular Weight |
473.4
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| Canonical SMILES |
COc1ccc(CNC(=O)[C@@H]2CC=C[C@@H]3CCN(Cc4ccc(Cl)c(Cl)c4)C(=O)[C@@H]32)cc1
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| InChI |
InChI=1S/C25H26Cl2N2O3/c1-32-19-8-5-16(6-9-19)14-28-24(30)20-4-2-3-18-11-12-29(25(31)23(18)20)15-17-7-10-21(26)22(27)13-17/h2-3,5-10,13,18,20,23H,4,11-12,14-15H2,1H3,(H,28,30)/t18-,20-,23+/m1/s1
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| InChIKey |
ZLLCGWMGVLVSJR-XQFWAAQXSA-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