General Information of the Compound
| Compound ID |
CP0576673
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| Compound Name |
(6S)-N-[3-chloro-5-(trifluoromethyl)phenyl]-19-methyl-14-oxo-2,7,15,25,29,30-hexazapentacyclo[21.5.2.12,6.116,20.026,30]dotriaconta-1(29),16(31),17,19,23,25,27-heptaen-21-yne-18-carboxamide
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| Structure |
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| Formula |
C35H35ClF3N7O2
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| Molecular Weight |
678.159
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| Canonical SMILES |
Cc1c2cc(NC(=O)CCCCCCN[C@H]3CCCN(C3)c3ccc4ncc(C#C2)n4n3)cc1C(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C35H35ClF3N7O2/c1-22-23-9-10-29-20-41-31-11-12-32(44-46(29)31)45-14-6-7-26(21-45)40-13-5-3-2-4-8-33(47)42-27(15-23)19-30(22)34(48)43-28-17-24(35(37,38)39)16-25(36)18-28/h11-12,15-20,26,40H,2-8,13-14,21H2,1H3,(H,42,47)(H,43,48)/t26-/m0/s1
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| InChIKey |
LAGWYIRRSPYNAO-SANMLTNESA-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