General Information of the Compound
| Compound ID |
CP0519482
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| Compound Name |
US9266876, 27
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| Structure |
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| Formula |
C25H24ClN7OS
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| Molecular Weight |
506.035
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2cc(Cl)c(C)cc2[nH]1
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| InChI |
InChI=1S/C25H24ClN7OS/c1-15-10-19-20(11-18(15)26)30-23(29-19)22-25(35-14-28-22)32-8-9-33(16(2)12-32)21(34)13-31-7-5-17-4-3-6-27-24(17)31/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,29,30)/t16-/m1/s1
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| InChIKey |
DJQDDTLHCBPCGG-MRXNPFEDSA-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