General Information of the Compound
| Compound ID |
CP0321333
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| Compound Name |
6-(1,3-benzothiazol-6-ylamino)-N-[(2R)-3-hydroxy-2,3-dimethylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H29N5O2S
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| Molecular Weight |
427.574
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](C)C(C)(C)O
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| InChI |
InChI=1S/C22H29N5O2S/c1-13(2)26-18-9-20(27-15-6-7-17-19(8-15)30-12-25-17)23-11-16(18)21(28)24-10-14(3)22(4,5)29/h6-9,11-14,29H,10H2,1-5H3,(H,24,28)(H2,23,26,27)/t14-/m1/s1
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| InChIKey |
KXIRRUKNVWVLHV-CQSZACIVSA-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