General Information of the Compound
| Compound ID |
CP0419586
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| Compound Name |
US9266876, 70
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| Structure |
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| Formula |
C24H23N7OS
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| Molecular Weight |
457.563
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| Canonical SMILES |
Cc1ccc2ccn(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c2n1
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| InChI |
InChI=1S/C24H23N7OS/c1-16-6-7-17-8-9-31(23(17)26-16)14-20(32)29-10-12-30(13-11-29)24-21(25-15-33-24)22-27-18-4-2-3-5-19(18)28-22/h2-9,15H,10-14H2,1H3,(H,27,28)
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| InChIKey |
UJBJLLNTPBFMAQ-UHFFFAOYSA-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