General Information of the Compound
| Compound ID |
CP0491201
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| Compound Name |
CHEMBL555693
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| Formula |
C32H49N5O4S
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| Molecular Weight |
599.842
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCN(CC2)S(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C32H49N5O4S/c1-24(2)37-30-12-8-7-11-25(30)21-29(32(37)39)31(38)33-26-22-27-13-14-28(23-26)36(27)16-10-6-4-5-9-15-34-17-19-35(20-18-34)42(3,40)41/h7-8,11-12,21,24,26-28H,4-6,9-10,13-20,22-23H2,1-3H3,(H,33,38)/t26-,27+,28-
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| InChIKey |
XJYKGQSAARGRMU-OUOZDZGXSA-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