General Information of the Compound
| Compound ID |
CP0569417
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| Compound Name |
CHEMBL5178315
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| Formula |
C33H40F3N5O4
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| Molecular Weight |
627.708
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| Canonical SMILES |
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)[C@H]1C[C@@](O)(C1)C(F)(F)F
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| InChI |
InChI=1S/C33H40F3N5O4/c1-5-44-28-37-18-23(19-38-28)21-7-6-8-24(15-21)41(25(42)22-16-32(43,17-22)33(34,35)36)20-30-9-12-31(13-10-30,14-11-30)26-39-27(45-40-26)29(2,3)4/h6-8,15,18-19,22,43H,5,9-14,16-17,20H2,1-4H3/t22-,30?,31?,32+
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| InChIKey |
YBZCVYGFJKBCMH-WYNLMZEZSA-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