General Information of the Compound
| Compound ID |
CP0515413
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| Compound Name |
US9266876, 44
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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 |
O=C(Cn1ccc2cccnc12)N1CCCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H23N7OS/c32-20(15-31-12-8-17-5-3-9-25-23(17)31)29-10-4-11-30(14-13-29)24-21(26-16-33-24)22-27-18-6-1-2-7-19(18)28-22/h1-3,5-9,12,16H,4,10-11,13-15H2,(H,27,28)
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| InChIKey |
YVPPKRJCXVZZLB-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