General Information of the Compound
| Compound ID |
CP0864731
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| Compound Name |
SID85800812
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| Structure |
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| Formula |
C33H40N4O7
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| Molecular Weight |
604.704
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| Canonical SMILES |
COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C33H40N4O7/c1-21-16-37(22(2)19-38)32(39)14-24-13-25(34-33(40)35-26-8-12-29-30(15-26)43-20-42-29)7-11-28(24)44-31(21)18-36(3)17-23-5-9-27(41-4)10-6-23/h5-13,15,21-22,31,38H,14,16-20H2,1-4H3,(H2,34,35,40)/t21-,22-,31-/m1/s1
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| InChIKey |
VJXHRMPDQSPMOP-KFCPHXPSSA-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