General Information of the Compound
| Compound ID |
CP0487187
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| Compound Name |
CHEMBL4238007
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| Formula |
C26H38N6O2S
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| Molecular Weight |
498.697
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CN(C)C(=O)C1)c1cccs1
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| InChI |
InChI=1S/C26H38N6O2S/c1-16(2)25-29-28-17(3)32(25)21-13-19-7-8-20(14-21)31(19)10-9-22(23-6-5-11-35-23)27-26(34)18-12-24(33)30(4)15-18/h5-6,11,16,18-22H,7-10,12-15H2,1-4H3,(H,27,34)/t18?,19-,20+,21-,22-/m0/s1
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| InChIKey |
GDZHRXYFRYYKHQ-NAQMCUANSA-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