General Information of the Compound
| Compound ID |
CP0958607
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| Compound Name |
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(hexylcarbamoyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid
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| Formula |
C43H65N3O5
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| Molecular Weight |
704.009
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| Canonical SMILES |
CCCCCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)Cc4c[nH]c5ccccc45)CC[C@@H]32)C1
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| InChI |
InChI=1S/C43H65N3O5/c1-5-6-7-10-23-44-41(50)51-32-19-21-42(3)30(25-32)14-15-34-36-17-16-35(43(36,4)22-20-37(34)42)28(2)13-18-39(47)46-31(26-40(48)49)24-29-27-45-38-12-9-8-11-33(29)38/h8-9,11-12,27-28,30-32,34-37,45H,5-7,10,13-26H2,1-4H3,(H,44,50)(H,46,47)(H,48,49)/t28-,30-,31+,32-,34+,35-,36+,37+,42+,43-/m1/s1
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| InChIKey |
DHBCQICNFMVTNL-FVSYVOCDSA-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