General Information of the Compound
| Compound ID |
CP0499656
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| Compound Name |
US9428500, 36
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| Structure |
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| Formula |
C33H35N7O2
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| Molecular Weight |
561.69
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| Canonical SMILES |
CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
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| InChI |
InChI=1S/C33H35N7O2/c1-37-16-13-26(14-17-37)39-20-18-38(19-21-39)25-9-6-23(7-10-25)24-8-11-28-27(22-24)32-30(12-15-34-33(32)36-28)35-29-4-2-3-5-31(29)40(41)42/h2-12,15,22,26H,13-14,16-21H2,1H3,(H2,34,35,36)
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| InChIKey |
BPJYKAVBJUDSLL-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