General Information of the Compound
| Compound ID |
CP0525606
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| Compound Name |
(2S)-3-[[(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]amino]-2-aminopropanoic acid
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| Structure |
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| Formula |
C24H36N2O4
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| Molecular Weight |
416.562
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| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C24H36N2O4/c1-13(27)17-6-7-18-16-5-4-14-10-15(28)8-9-23(14,2)21(16)20(11-24(17,18)3)26-12-19(25)22(29)30/h10,16-21,26H,4-9,11-12,25H2,1-3H3,(H,29,30)/t16-,17+,18-,19-,20-,21+,23-,24+/m0/s1
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| InChIKey |
YVGKPKBONYGPMB-JNMIDYNYSA-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