General Information of the Compound
| Compound ID |
CP0006842
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| Compound Name |
US9777008, Compound 254
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| Structure |
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| Formula |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ncc2ccn(C3CNC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H29N7O/c34-23(17-32-9-6-18-3-1-2-4-21(18)16-32)15-29-24-11-19(5-8-28-24)25-30-12-20-7-10-33(26(20)31-25)22-13-27-14-22/h1-5,7-8,10-12,22-23,27,34H,6,9,13-17H2,(H,28,29)
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| InChIKey |
VWPCEHMJRAUOOY-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