General Information of the Compound
| Compound ID |
CP0564945
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| Compound Name |
benzyl N-[2-[[(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]amino]ethyl]carbamate
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| Structure |
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| Formula |
C34H52N2O5
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| Molecular Weight |
568.799
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| Canonical SMILES |
C[C@H](CCC(=O)NCCNC(=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/C34H52N2O5/c1-22(9-12-30(39)35-17-18-36-32(40)41-21-23-7-5-4-6-8-23)26-10-11-27-31-28(14-16-34(26,27)3)33(2)15-13-25(37)19-24(33)20-29(31)38/h4-8,22,24-29,31,37-38H,9-21H2,1-3H3,(H,35,39)(H,36,40)/t22-,24+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1
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| InChIKey |
MLMLPKZLELHFBK-WJIGAAKZSA-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