General Information of the Compound
| Compound ID |
CP0956780
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| Compound Name |
US8969358, 109
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| Structure |
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| Formula |
C30H39N5O4
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| Molecular Weight |
533.673
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
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| InChI |
InChI=1S/C30H39N5O4/c1-38-30-7-6-28(12-19(30)13-33-26(37)21(31)11-20-14-32-16-34-20)23-10-18-4-5-22(36)25-24(18)29(28,27(30)39-25)8-9-35(23)15-17-2-3-17/h4-5,14,16-17,19,21,23,27,36H,2-3,6-13,15,31H2,1H3,(H,32,34)(H,33,37)/t19-,21+,23-,27-,28-,29+,30-/m1/s1
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| InChIKey |
RIFJSRCAHFYBAU-WNOCNRGZSA-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