General Information of the Compound
| Compound ID |
CP0340345
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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-methylbutanoic acid
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| Structure |
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| Formula |
C29H49NO4
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| Molecular Weight |
475.714
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
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| InChI |
InChI=1S/C29H49NO4/c1-17(2)26(27(33)34)30-25(32)11-6-18(3)22-9-10-23-21-8-7-19-16-20(31)12-14-28(19,4)24(21)13-15-29(22,23)5/h17-24,26,31H,6-16H2,1-5H3,(H,30,32)(H,33,34)/t18-,19-,20-,21+,22-,23+,24+,26+,28+,29-/m1/s1
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| InChIKey |
OFQHILGMYPWRGQ-JZLNZZGQSA-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