General Information of the Compound
| Compound ID |
CP0073004
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| Compound Name |
(2R)-N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-ethoxypropanamide
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| Structure |
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| Formula |
C34H46N4O4S
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| Molecular Weight |
606.833
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| Canonical SMILES |
CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C34H46N4O4S/c1-6-41-22(2)30(40)38-27(17-23-9-7-10-25(15-23)32-35-13-14-43-32)29(39)21-36-28-19-34(11-8-12-34)42-31-26(28)16-24(20-37-31)18-33(3,4)5/h7,9-10,13-16,20,22,27-29,36,39H,6,8,11-12,17-19,21H2,1-5H3,(H,38,40)/t22-,27+,28+,29-/m1/s1
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| InChIKey |
BTSCNDCMLRNJTB-KZNIJNHCSA-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