General Information of the Compound
| Compound ID |
CP0562716
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| Compound Name |
benzyl 4-[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C36H54N2O5
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| Molecular Weight |
594.837
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| Canonical SMILES |
C[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)[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/C36H54N2O5/c1-24(9-12-32(41)37-17-19-38(20-18-37)34(42)43-23-25-7-5-4-6-8-25)28-10-11-29-33-30(14-16-36(28,29)3)35(2)15-13-27(39)21-26(35)22-31(33)40/h4-8,24,26-31,33,39-40H,9-23H2,1-3H3/t24-,26+,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1
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| InChIKey |
ODXANXUZDKHTPY-KFSPPREHSA-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