General Information of the Compound
| Compound ID |
CP0378633
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| Compound Name |
(R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(5-chloro-2,4-difluorophenylsulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C29H32ClF2N3O4S
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| Molecular Weight |
592.108
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| Canonical SMILES |
CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1
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| InChI |
InChI=1S/C29H32ClF2N3O4S/c1-29(2,3)33-17-18-9-10-20-24(11-12-39-26(20)13-18)34-28(36)16-25(19-7-5-4-6-8-19)35-40(37,38)27-14-21(30)22(31)15-23(27)32/h4-10,13-15,24-25,33,35H,11-12,16-17H2,1-3H3,(H,34,36)/t24-,25-/m1/s1
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| InChIKey |
SDHWXODIKXBHDY-JWQCQUIFSA-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