General Information of the Compound
| Compound ID |
CP0565280
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| Compound Name |
US8940771, 40
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| Structure |
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| Formula |
C19H23N5O2S
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| Molecular Weight |
385.493
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| Canonical SMILES |
CC1(CC1)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@]2(C)C(N)=O)s1
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| InChI |
InChI=1S/C19H23N5O2S/c1-18(6-7-18)14-10-12(4-8-21-14)13-11-22-16(27-13)23-17(26)24-9-3-5-19(24,2)15(20)25/h4,8,10-11H,3,5-7,9H2,1-2H3,(H2,20,25)(H,22,23,26)/t19-/m1/s1
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| InChIKey |
SJNBGXFIKPBZKA-LJQANCHMSA-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