General Information of the Compound
| Compound ID |
CP0141116
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| Compound Name |
N-butyl-3-[6-[[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]hexanoylamino]-N-hydroxybenzamide
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| Structure |
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| Formula |
C35H48N2O5S
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| Molecular Weight |
608.845
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| Canonical SMILES |
CCCCN(O)C(=O)c1cccc(NC(=O)CCCCCS[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)c1
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| InChI |
InChI=1S/C35H48N2O5S/c1-3-4-18-37(42)34(41)23-9-8-10-25(20-23)36-32(40)11-6-5-7-19-43-30-22-24-21-26(38)12-13-27(24)28-16-17-35(2)29(33(28)30)14-15-31(35)39/h8-10,12-13,20-21,28-31,33,38-39,42H,3-7,11,14-19,22H2,1-2H3,(H,36,40)/t28-,29+,30-,31+,33-,35+/m1/s1
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| InChIKey |
JVMAHNUVIQGWMZ-XWIKPOQUSA-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