General Information of the Compound
| Compound ID |
CP0291347
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| Compound Name |
2-[2-[[2-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
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| Structure |
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| Formula |
C35H39N3O5S
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| Molecular Weight |
613.78
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1nc(CC(O)=O)cs1
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| InChI |
InChI=1S/C35H39N3O5S/c1-4-14-35(43)15-13-29-27-11-7-22-16-25(39)10-12-26(22)32(27)28(18-34(29,35)2)21-5-8-24(9-6-21)38(3)19-30(40)37-33-36-23(20-44-33)17-31(41)42/h5-6,8-9,16,20,27-29,43H,7,10-13,15,17-19H2,1-3H3,(H,41,42)(H,36,37,40)/t27-,28+,29-,34-,35-/m0/s1
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| InChIKey |
UDHISUQCHJCRAL-FOTGZYITSA-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