General Information of the Compound
| Compound ID |
CP0576465
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| Compound Name |
CHEMBL5176665
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| Formula |
C22H33N5OS
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| Molecular Weight |
415.607
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccs1
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| InChI |
InChI=1S/C22H33N5OS/c1-14(2)22-25-24-15(3)27(22)19-12-17-7-8-18(13-19)26(17)10-9-20(23-16(4)28)21-6-5-11-29-21/h5-6,11,14,17-20H,7-10,12-13H2,1-4H3,(H,23,28)/t17-,18+,19-,20-/m0/s1
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| InChIKey |
YNBGIJVWMDWTHC-YRPNKDGESA-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