General Information of the Compound
| Compound ID |
CP0199114
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| Compound Name |
SB-399885
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| Synonyms |
SB 399885
SB-399,885
SB-399885
SB399885
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| Structure |
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| Formula |
C18H21Cl2N3O4S
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| Molecular Weight |
446.356
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
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| InChI |
InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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| InChIKey |
ATKZKAYWARYLBW-UHFFFAOYSA-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
Clinical Information about the Compound