General Information of the Compound
| Compound ID |
CP0569563
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| Compound Name |
2-[4,7-dichloro-6-[4-(4-ethylpiperazin-1-yl)phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C30H29Cl2FN8OS
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| Molecular Weight |
639.588
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(cc1)-c1cc(Cl)c2cn(nc2c1Cl)C(C(=O)Nc1nccs1)c1ncn2C[C@H](F)Cc12
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| InChI |
InChI=1S/C30H29Cl2FN8OS/c1-2-38-8-10-39(11-9-38)20-5-3-18(4-6-20)21-14-23(31)22-16-41(37-26(22)25(21)32)28(29(42)36-30-34-7-12-43-30)27-24-13-19(33)15-40(24)17-35-27/h3-7,12,14,16-17,19,28H,2,8-11,13,15H2,1H3,(H,34,36,42)/t19-,28?/m1/s1
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| InChIKey |
STKVRLFVUMSYGE-OJQMSQGESA-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