General Information of the Compound
| Compound ID |
CP0481174
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| Compound Name |
(17R)-20-amino-14-fluoro-9,17-dimethyl-4-methylsulfonyl-18-oxa-9,21-diazatetracyclo[17.3.1.02,7.011,16]tricosa-1(23),2(7),3,5,11(16),12,14,19,21-nonaen-10-one
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| Structure |
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| Formula |
C23H22FN3O4S
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| Molecular Weight |
455.511
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| Canonical SMILES |
C[C@H]1Oc2cc(cnc2N)-c2cc(ccc2CN(C)C(=O)c2ccc(F)cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C23H22FN3O4S/c1-13-19-9-16(24)5-7-18(19)23(28)27(2)12-14-4-6-17(32(3,29)30)10-20(14)15-8-21(31-13)22(25)26-11-15/h4-11,13H,12H2,1-3H3,(H2,25,26)/t13-/m1/s1
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| InChIKey |
OMIYERABHRFNAV-CYBMUJFWSA-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