General Information of the Compound
| Compound ID |
CP0120256
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| Compound Name |
(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-[(3-methylpyrazol-1-yl)methyl]phenyl]methanone
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| Structure |
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| Formula |
C24H24N6O
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| Molecular Weight |
412.497
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| Canonical SMILES |
Cc1ccn(Cc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)n1
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| InChI |
InChI=1S/C24H24N6O/c1-16-12-18(8-9-19(16)14-29-11-10-17(2)27-29)24(31)30-15-20-13-25-28(3)23(20)26-21-6-4-5-7-22(21)30/h4-13,26H,14-15H2,1-3H3
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| InChIKey |
RLNNQZWVQCKXKC-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