General Information of the Compound
| Compound ID |
CP0571062
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| Compound Name |
CHEMBL5171324
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| Formula |
C33H35Cl2FN4O3
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| Molecular Weight |
625.572
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| Canonical SMILES |
C[C@]1(CC[C@@H](CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O)C(O)=O
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| InChI |
InChI=1S/C33H35Cl2FN4O3/c1-31(2)28-26(14-21(35)16-37-28)25-9-4-20(34)15-27(25)40(29(31)41)24-7-5-23(6-8-24)39-18-33(36,19-39)17-38-22-10-12-32(3,13-11-22)30(42)43/h4-9,14-16,22,38H,10-13,17-19H2,1-3H3,(H,42,43)/t22-,32+
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| InChIKey |
RPGVQZUOYJYUAE-ZFMMCZPJSA-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