General Information of the Compound
| Compound ID |
CP0478041
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| Compound Name |
US9266876, 26
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| Structure |
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| Formula |
C24H21ClFN7OS
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| Molecular Weight |
509.998
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2cc(Cl)c(F)cc2[nH]1
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| InChI |
InChI=1S/C24H21ClFN7OS/c1-14-11-32(7-8-33(14)20(34)12-31-6-4-15-3-2-5-27-23(15)31)24-21(28-13-35-24)22-29-18-9-16(25)17(26)10-19(18)30-22/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
AZXPJWZIDROYLV-CQSZACIVSA-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