General Information of the Compound
| Compound ID |
CP0006605
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| Compound Name |
US9777008, Compound 246
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| Structure |
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| Formula |
C30H35N7O2
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| Molecular Weight |
525.657
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCCCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H35N7O2/c38-26(20-35-14-9-22-6-2-3-7-25(22)19-35)18-32-27-16-23(8-11-31-27)29-33-17-24-10-15-37(30(24)34-29)21-28(39)36-12-4-1-5-13-36/h2-3,6-8,10-11,15-17,26,38H,1,4-5,9,12-14,18-21H2,(H,31,32)
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| InChIKey |
BWOFZDRTMFRKJS-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