General Information of the Compound
| Compound ID |
CP0530899
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| Compound Name |
CHEMBL3401669
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| Formula |
C26H31N5O4
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| Molecular Weight |
477.565
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2
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| InChI |
InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,26-
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| InChIKey |
OGSHMZAGNJFKSO-VIZDMAECSA-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