General Information of the Compound
| Compound ID |
CP0487630
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| Compound Name |
(1S,2S)-2-[[6-[(2-aminopyrimidin-4-yl)methoxy]-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
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| Structure |
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| Formula |
C19H23N5O3S
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| Molecular Weight |
401.492
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| Canonical SMILES |
COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12
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| InChI |
InChI=1S/C19H23N5O3S/c1-26-15-8-12(27-10-11-6-7-21-18(20)22-11)9-16-17(15)24-19(28-16)23-13-4-2-3-5-14(13)25/h6-9,13-14,25H,2-5,10H2,1H3,(H,23,24)(H2,20,21,22)/t13-,14-/m0/s1
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| InChIKey |
QPANAVQRQRUDJJ-KBPBESRZSA-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