General Information of the Compound
| Compound ID |
CP0515242
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| Compound Name |
US9266876, 124
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| Structure |
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| Formula |
C25H24N6OS
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| Molecular Weight |
456.575
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1c[nH]c2ccccc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H24N6OS/c1-16-14-30(25-23(27-15-33-25)24-28-20-8-4-5-9-21(20)29-24)10-11-31(16)22(32)12-17-13-26-19-7-3-2-6-18(17)19/h2-9,13,15-16,26H,10-12,14H2,1H3,(H,28,29)/t16-/m1/s1
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| InChIKey |
ICBQJFUOFILMFB-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