General Information of the Compound
| Compound ID |
CP0874656
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| Compound Name |
SID49815769
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| Structure |
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| Formula |
C39H44F6N10O3
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| Molecular Weight |
814.836
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc(Nc5cc(N6CCNCC6)nc(C)n5)cn4)c3)cc2C(F)(F)F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C37H43F3N10O.C2HF3O2/c1-4-48-15-17-49(18-16-48)24-29-8-9-30(20-32(29)37(38,39)40)46-36(51)28-6-5-25(2)27(19-28)7-10-31-22-43-34(23-42-31)47-33-21-35(45-26(3)44-33)50-13-11-41-12-14-50;3-2(4,5)1(6)7/h5-10,19-23,41H,4,11-18,24H2,1-3H3,(H,46,51)(H,43,44,45,47);(H,6,7)/b10-7+;
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| InChIKey |
WSUIQCHCZDRMAB-HCUGZAAXSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1