General Information of the Compound
| Compound ID |
CP0900341
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| Compound Name |
SID131451078
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| Structure |
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| Formula |
C31H31Cl2N3O6
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| Molecular Weight |
612.51
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@H]1CO2
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| InChI |
InChI=1S/C31H31Cl2N3O6/c1-36-25-11-9-20(15-29(37)34-16-18-7-10-23(32)24(33)13-18)42-28(25)17-41-27-12-8-19(14-22(27)31(36)39)35-30(38)21-5-3-4-6-26(21)40-2/h3-8,10,12-14,20,25,28H,9,11,15-17H2,1-2H3,(H,34,37)(H,35,38)/t20-,25+,28-/m0/s1
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| InChIKey |
ASXFRKIPNMTMAF-OUKRDIKDSA-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