General Information of the Compound
| Compound ID |
CP0578007
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| Compound Name |
CHEMBL5189690
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| Formula |
C25H27N5O5S
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| Molecular Weight |
509.588
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| Canonical SMILES |
OC[C@H]1[C@@H]2CN(C[C@H]12)c1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C25H27N5O5S/c31-12-19-17-10-30(11-18(17)19)20-7-8-21(24-23(20)27-35-28-24)36(33,34)29-25(32)26-22-15-5-1-3-13(15)9-14-4-2-6-16(14)22/h7-9,17-19,31H,1-6,10-12H2,(H2,26,29,32)/t17-,18+,19+
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| InChIKey |
QQHCJTGNNMFSKP-BWTSREIZSA-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