General Information of the Compound
| Compound ID |
CP0373340
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| Compound Name |
4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)-benzoic acid
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| Structure |
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| Formula |
C33H37N3O3
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| Molecular Weight |
523.677
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
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| InChI |
InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)
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| InChIKey |
FBPHPUGONBJSQS-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