General Information of the Compound
| Compound ID |
CP0578650
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| Compound Name |
4-methyl-2-(2-methylpropanoylamino)-N-[(2R)-3,3,3-trifluoro-2-[[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]carbamoyl]propyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C25H29F3N6O4S
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| Molecular Weight |
566.606
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| Canonical SMILES |
CC(C)C(=O)Nc1nc(C)c(s1)C(=O)NC[C@H](C(=O)N[C@H]1c2ccccc2CN2CCCN2C1=O)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N6O4S/c1-13(2)20(35)32-24-30-14(3)19(39-24)22(37)29-11-17(25(26,27)28)21(36)31-18-16-8-5-4-7-15(16)12-33-9-6-10-34(33)23(18)38/h4-5,7-8,13,17-18H,6,9-12H2,1-3H3,(H,29,37)(H,31,36)(H,30,32,35)/t17-,18+/m1/s1
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| InChIKey |
NXSHQSVUICWYDD-MSOLQXFVSA-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