General Information of the Compound
| Compound ID |
CP0467408
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| Compound Name |
CHEMBL2059589
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| Formula |
C25H38N6O3S
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| Molecular Weight |
502.685
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| Canonical SMILES |
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)S(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H38N6O3S/c1-18(2)31-23-7-5-4-6-22(23)24(27-31)25(32)26-19-16-20-8-9-21(17-19)30(20)15-12-28-10-13-29(14-11-28)35(3,33)34/h4-7,18-21H,8-17H2,1-3H3,(H,26,32)/t19-,20+,21-
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| InChIKey |
XXADDAGOQMUQOS-WKCHPHFGSA-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