General Information of the Compound
| Compound ID |
CP0212933
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| Compound Name |
tert-butyl N-[(2S)-1-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]anilino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C32H40N4O6
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| Molecular Weight |
576.694
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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| InChI |
InChI=1S/C32H40N4O6/c1-32(2,3)42-31(40)36-24(16-22-17-33-18-34-22)29(38)35-21-10-8-9-20(15-21)26(19-13-14-19)27-28(37)23-11-6-4-5-7-12-25(23)41-30(27)39/h8-10,15,17-19,24,26,37H,4-7,11-14,16H2,1-3H3,(H,33,34)(H,35,38)(H,36,40)/t24-,26?/m0/s1
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| InChIKey |
DSHYGKAKVRNSRB-QSAPEBAKSA-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