General Information of the Compound
| Compound ID |
CP0231171
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| Compound Name |
1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carbonitrile
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| Structure |
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| Formula |
C19H17N5O
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| Molecular Weight |
331.379
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1
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| InChI |
InChI=1S/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/m1/s1
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| InChIKey |
BVGBDKUISALXAL-LLVKDONJSA-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