General Information of the Compound
| Compound ID |
CP0399571
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| Compound Name |
N-[(4R)-7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
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| Structure |
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| Formula |
C30H32Cl2N4O5S
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| Molecular Weight |
631.582
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| Canonical SMILES |
CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1
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| InChIKey |
QODRQOSQUODVHZ-ZEQKJWHPSA-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