General Information of the Compound
| Compound ID |
CP0332937
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| Compound Name |
methyl N-[N-[(2S)-2-[2-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]propyl]-C-(3-pyridin-4-ylpyrrolidin-1-yl)carbonimidoyl]carbamate
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| Structure |
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| Formula |
C39H48N6O3S
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| Molecular Weight |
680.919
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| Canonical SMILES |
COC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1
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| InChI |
InChI=1S/C39H48N6O3S/c1-23-17-24(2)19-28(18-23)34-33(31-20-32(49-35(31)42-34)39(4,5)36(46)45-29-7-8-30(45)10-9-29)25(3)21-41-37(43-38(47)48-6)44-16-13-27(22-44)26-11-14-40-15-12-26/h11-12,14-15,17-20,25,27,29-30,42H,7-10,13,16,21-22H2,1-6H3,(H,41,43,47)/t25-,27?,29?,30?/m1/s1
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| InChIKey |
LBNVTKXFWRBTPJ-IEXYTZDRSA-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