General Information of the Compound
| Compound ID |
CP0451460
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| Compound Name |
CHEMBL2059588
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| Formula |
C26H40N6O4S
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| Molecular Weight |
532.711
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| Canonical SMILES |
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m0/s1
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| InChIKey |
VFMYMJOHTZZBTL-LRSLUSHPSA-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