General Information of the Compound
| Compound ID |
CP0494206
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| Compound Name |
US11136336, Example 13
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| Structure |
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| Formula |
C23H24ClN5O5S
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| Molecular Weight |
517.995
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(=O)NCC(C)(C)O
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| InChI |
InChI=1S/C23H24ClN5O5S/c1-12-18-21(35-19(12)20(31)25-10-23(2,3)33)26-11-29(22(18)32)9-17-27-16(28-34-17)8-15(30)13-4-6-14(24)7-5-13/h4-7,11,15,30,33H,8-10H2,1-3H3,(H,25,31)/t15-/m0/s1
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| InChIKey |
RUDSKJYIDUAKKF-HNNXBMFYSA-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