General Information of the Compound
| Compound ID |
CP0884820
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| Compound Name |
SID131446311
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| Structure |
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| Formula |
C21H23N3OS
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| Molecular Weight |
365.502
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| Canonical SMILES |
CCc1cnc(N2[C@@H](C#N)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2CO)s1
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| InChI |
InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m0/s1
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| InChIKey |
DBBLKINRPPNEJI-SLFFLAALSA-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