General Information of the Compound
| Compound ID |
CP0485424
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| Compound Name |
CHEMBL4248119
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| Formula |
C25H36N6O2S
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| Molecular Weight |
484.67
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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)[C@@H]1CCC(=O)N1)c1cccs1
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| InChI |
InChI=1S/C25H36N6O2S/c1-15(2)24-29-28-16(3)31(24)19-13-17-6-7-18(14-19)30(17)11-10-20(22-5-4-12-34-22)27-25(33)21-8-9-23(32)26-21/h4-5,12,15,17-21H,6-11,13-14H2,1-3H3,(H,26,32)(H,27,33)/t17-,18+,19-,20-,21-/m0/s1
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| InChIKey |
PWIJXRPHCKDAAB-SSTJLMRISA-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