General Information of the Compound
| Compound ID |
CP0426907
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| Compound Name |
2-tert-butoxycarbonylamino-5-[4-(4,6-dioxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a]trinden-8-yl)-thiazol-2-yl]-pentanoic acid tert-butyl ester
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| Structure |
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| Formula |
C34H38N4O6S
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| Molecular Weight |
630.767
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CCCc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C34H38N4O6S/c1-33(2,3)43-31(41)22(37-32(42)44-34(4,5)6)11-8-12-24-35-23(16-45-24)17-13-14-21-20(15-17)25-27-26(29(39)38-30(27)40)18-9-7-10-19(18)28(25)36-21/h13-16,22,36H,7-12H2,1-6H3,(H,37,42)(H,38,39,40)
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| InChIKey |
OVGWBLILHSVMRH-UHFFFAOYSA-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