General Information of the Compound
| Compound ID |
CP0567683
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| Compound Name |
US9266876, 127
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| Structure |
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| Formula |
C25H23ClN6OS
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| Molecular Weight |
491.02
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H23ClN6OS/c1-15-13-31(25-23(28-14-34-25)24-29-20-4-2-3-5-21(20)30-24)8-9-32(15)22(33)10-16-12-27-19-7-6-17(26)11-18(16)19/h2-7,11-12,14-15,27H,8-10,13H2,1H3,(H,29,30)/t15-/m1/s1
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| InChIKey |
IPNGFDOGRPMSFW-OAHLLOKOSA-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