General Information of the Compound
| Compound ID |
CP0471483
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| Compound Name |
CHEMBL4241721
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| Formula |
C26H37N5O2S
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| Molecular Weight |
483.682
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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)C1CCC(=O)C1)c1cccs1
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| InChI |
InChI=1S/C26H37N5O2S/c1-16(2)25-29-28-17(3)31(25)21-14-19-7-8-20(15-21)30(19)11-10-23(24-5-4-12-34-24)27-26(33)18-6-9-22(32)13-18/h4-5,12,16,18-21,23H,6-11,13-15H2,1-3H3,(H,27,33)/t18?,19-,20+,21-,23-/m0/s1
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| InChIKey |
RTVRJLHEAFSISM-VPLHEMTKSA-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