General Information of the Compound
| Compound ID |
CP0546944
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| Compound Name |
4-methyl-N-[(2R)-2-methyl-3-oxo-3-[[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]amino]propyl]-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C25H32N6O4S
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| Molecular Weight |
512.636
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| Canonical SMILES |
CC(C)C(=O)Nc1nc(C)c(s1)C(=O)NC[C@@H](C)C(=O)N[C@H]1c2ccccc2CN2CCCN2C1=O
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| InChI |
InChI=1S/C25H32N6O4S/c1-14(2)21(32)29-25-27-16(4)20(36-25)23(34)26-12-15(3)22(33)28-19-18-9-6-5-8-17(18)13-30-10-7-11-31(30)24(19)35/h5-6,8-9,14-15,19H,7,10-13H2,1-4H3,(H,26,34)(H,28,33)(H,27,29,32)/t15-,19+/m1/s1
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| InChIKey |
FRBVYOSRVABBQS-BEFAXECRSA-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