General Information of the Compound
| Compound ID |
CP0959685
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| Compound Name |
SID131410712
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| Structure |
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| Formula |
C36H52Cl2N4O5
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| Molecular Weight |
691.741
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O
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| InChI |
InChI=1S/C36H52Cl2N4O5/c1-24-20-42(25(2)23-43)35(44)30-19-29(40-36(45)39-28-11-6-5-7-12-28)14-16-33(30)47-26(3)10-8-9-17-46-34(24)22-41(4)21-27-13-15-31(37)32(38)18-27/h13-16,18-19,24-26,28,34,43H,5-12,17,20-23H2,1-4H3,(H2,39,40,45)/t24-,25+,26-,34-/m0/s1
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| InChIKey |
DRQNCGZLFKRWDU-OJQFFXEZSA-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