General Information of the Compound
| Compound ID |
CP0515244
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| Compound Name |
US9266876, 154
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| Structure |
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| Formula |
C25H25N7O2S
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| Molecular Weight |
487.589
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1c(CO)cc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H25N7O2S/c1-16-12-30(25-22(27-15-35-25)23-28-19-6-2-3-7-20(19)29-23)9-10-31(16)21(34)13-32-18(14-33)11-17-5-4-8-26-24(17)32/h2-8,11,15-16,33H,9-10,12-14H2,1H3,(H,28,29)/t16-/m1/s1
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| InChIKey |
JMWVCTLNDCHNCR-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