General Information of the Compound
| Compound ID |
CP0578651
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| Compound Name |
(2R)-N'-[4-chloro-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]-2-methyl-N-[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]butanediamide
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| Structure |
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| Formula |
C24H29ClN6O4S
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| Molecular Weight |
533.054
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| Canonical SMILES |
CC(C)C(=O)Nc1nc(Cl)c(NC(=O)C[C@@H](C)C(=O)N[C@H]2c3ccccc3CN3CCCN3C2=O)s1
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| InChI |
InChI=1S/C24H29ClN6O4S/c1-13(2)20(33)29-24-28-19(25)22(36-24)26-17(32)11-14(3)21(34)27-18-16-8-5-4-7-15(16)12-30-9-6-10-31(30)23(18)35/h4-5,7-8,13-14,18H,6,9-12H2,1-3H3,(H,26,32)(H,27,34)(H,28,29,33)/t14-,18+/m1/s1
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| InChIKey |
IDEZTEVFGLFHFD-KDOFPFPSSA-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