General Information of the Compound
| Compound ID |
CP0042119
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| Compound Name |
benzyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
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| Synonyms |
GW841819X
KB-75882
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| Structure |
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| Formula |
C25H21N5O2
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| Molecular Weight |
423.476
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| Canonical SMILES |
Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
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| InChI |
InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)
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| InChIKey |
TUWDLUFFAHHNEF-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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Clinical Information about the Compound