General Information of the Compound
| Compound ID |
CP0453679
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| Compound Name |
[2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-(11-methyl-5H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
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| Structure |
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| Formula |
C24H20ClN5O
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| Molecular Weight |
429.911
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| Canonical SMILES |
CN1c2ccccc2N(Cc2cccnc12)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
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| InChI |
InChI=1S/C24H20ClN5O/c1-16-11-13-30(27-16)18-9-10-19(20(25)14-18)24(31)29-15-17-6-5-12-26-23(17)28(2)21-7-3-4-8-22(21)29/h3-14H,15H2,1-2H3
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| InChIKey |
KXFXNMANIRCLQV-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