General Information of the Compound
| Compound ID |
CP0454186
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| Compound Name |
(R)-N-((R)-7-((cyclohexylamino)methyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C35H39N3O4S
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| Molecular Weight |
597.781
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| Canonical SMILES |
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc12
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| InChI |
InChI=1S/C35H39N3O4S/c39-35(37-32-19-20-42-34-21-25(15-18-31(32)34)24-36-29-13-5-2-6-14-29)23-33(27-10-3-1-4-11-27)38-43(40,41)30-17-16-26-9-7-8-12-28(26)22-30/h1,3-4,7-12,15-18,21-22,29,32-33,36,38H,2,5-6,13-14,19-20,23-24H2,(H,37,39)/t32-,33-/m1/s1
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| InChIKey |
VMHWKJXFQNGBJT-CZNDPXEESA-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