General Information of the Compound
| Compound ID |
CP0502319
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| Compound Name |
(2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-(4-fluorophenylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C35H51FN2O6
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| Molecular Weight |
614.799
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C35H51FN2O6/c1-20(4-12-31(42)38-28(33(43)44)11-13-30(41)37-23-7-5-22(36)6-8-23)25-9-10-26-32-27(15-17-35(25,26)3)34(2)16-14-24(39)18-21(34)19-29(32)40/h5-8,20-21,24-29,32,39-40H,4,9-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t20-,21-,24-,25-,26+,27+,28+,29-,32+,34+,35-/m1/s1
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| InChIKey |
KVUGDEBWBMTISD-BPBHNCSOSA-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