General Information of the Compound
| Compound ID |
CP0090508
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| Compound Name |
(3S)-3-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-carbamoyloxy-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]-4-(1H-indol-3-yl)butanoic acid
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| Structure |
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| Formula |
C37H53N3O5
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| Molecular Weight |
619.847
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(N)=O
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| InChI |
InChI=1S/C37H53N3O5/c1-22(8-13-33(41)40-25(20-34(42)43)18-23-21-39-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(45-35(38)44)14-16-36(24,2)31(28)15-17-37(29,30)3/h4-7,21-22,24-26,28-31,39H,8-20H2,1-3H3,(H2,38,44)(H,40,41)(H,42,43)/t22-,24-,25+,26-,28+,29-,30+,31+,36+,37-/m1/s1
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| InChIKey |
FAAZTHVEPPRZQA-AIDMMIJQSA-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