General Information of the Compound
| Compound ID |
CP0563767
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| Compound Name |
US9266876, 136
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| Structure |
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| Formula |
C25H25N5O2S
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| Molecular Weight |
459.575
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1ccc2OCCc2c1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H25N5O2S/c1-16-14-29(25-23(26-15-33-25)24-27-19-4-2-3-5-20(19)28-24)9-10-30(16)22(31)13-17-6-7-21-18(12-17)8-11-32-21/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,27,28)/t16-/m1/s1
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| InChIKey |
QJMNNKFZTSRMOZ-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