General Information of the Compound
| Compound ID |
CP0526127
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| Compound Name |
US9266876, 152
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| Structure |
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| Formula |
C25H24N6O3S
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| Molecular Weight |
488.573
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1c2c(C)cccc2oc1=O)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H24N6O3S/c1-15-6-5-9-19-22(15)31(25(33)34-19)13-20(32)30-11-10-29(12-16(30)2)24-21(26-14-35-24)23-27-17-7-3-4-8-18(17)28-23/h3-9,14,16H,10-13H2,1-2H3,(H,27,28)/t16-/m1/s1
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| InChIKey |
IFHOVXZEIHUAOU-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