General Information of the Compound
| Compound ID |
CP0495008
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| Compound Name |
US9120798, Comparator 1
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| Structure |
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| Formula |
C35H45N5
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| Molecular Weight |
535.78
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1Nc1nc3ccc(cc3[nH]1)C(C)(C)C)c1ccccc21
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| InChI |
InChI=1S/C35H45N5/c1-33(2,3)24-39-20-17-35(18-21-39)19-22-40(30-13-9-7-11-26(30)35)31-14-10-8-12-28(31)37-32-36-27-16-15-25(34(4,5)6)23-29(27)38-32/h7-16,23H,17-22,24H2,1-6H3,(H2,36,37,38)
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| InChIKey |
AONJWECSJOZDAI-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