General Information of the Compound
| Compound ID |
CP0340343
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| Compound Name |
(2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C33H49NO4
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| Molecular Weight |
523.758
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
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| InChIKey |
GGPBIPRBYWGMTR-LTVMZZGSSA-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