General Information of the Compound
| Compound ID |
CP0390055
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| Compound Name |
US8912224, 270
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| Structure |
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| Formula |
C24H25N3O5S
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| Molecular Weight |
467.547
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1)C(O)=O
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| InChI |
InChI=1S/C24H25N3O5S/c1-3-14(2)21(23(29)30)27-22(28)20-13-26-24(33-20)31-17-7-9-18-15(11-17)6-8-19(32-18)16-5-4-10-25-12-16/h4-5,7,9-14,19,21H,3,6,8H2,1-2H3,(H,27,28)(H,29,30)/t14-,19?,21-/m0/s1
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| InChIKey |
JPXNKJSYJBEICY-VVHKJBIHSA-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