General Information of the Compound
| Compound ID |
CP0456923
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| Compound Name |
4-(6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl)-2-fluoro-6-[[(3S)-oxolan-3-yl]amino]benzamide
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| Structure |
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| Formula |
C21H24FN3O3
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| Molecular Weight |
385.439
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| Canonical SMILES |
CC1(C)Cc2c(ccn2-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1
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| InChI |
InChI=1S/C21H24FN3O3/c1-21(2)9-17-14(18(26)10-21)3-5-25(17)13-7-15(22)19(20(23)27)16(8-13)24-12-4-6-28-11-12/h3,5,7-8,12,24H,4,6,9-11H2,1-2H3,(H2,23,27)/t12-/m0/s1
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| InChIKey |
GENUPDQCNCBCTQ-LBPRGKRZSA-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
Protein ID: PT01500, Heat shock protein HSP 90-alpha
Protein ID: PT01478, Heat shock protein HSP 90-beta