General Information of the Compound
| Compound ID |
CP0433754
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| Compound Name |
4-{5,7,7,10,10-pentamethyl-2-[(E)-(3-phenyl-acryloyl)amino]-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 |
C38H37N3O3
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| Molecular Weight |
583.732
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| Canonical SMILES |
CN1c2ccc(NC(=O)\C=C\c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C38H37N3O3/c1-37(2)19-20-38(3,4)30-23-33-28(22-29(30)37)35(25-12-14-26(15-13-25)36(43)44)40-31-21-27(16-17-32(31)41(33)5)39-34(42)18-11-24-9-7-6-8-10-24/h6-18,21-23H,19-20H2,1-5H3,(H,39,42)(H,43,44)/b18-11+
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| InChIKey |
AVPVQAULDWVWHT-WOJGMQOQSA-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