General Information of the Compound
| Compound ID |
CP0010460
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| Compound Name |
US9777008, Compound 265
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ccc2ncn(C3COC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C27H29N5O2/c33-24(15-31-10-8-19-3-1-2-4-22(19)14-31)13-29-27-12-21(7-9-28-27)20-5-6-25-26(11-20)32(18-30-25)23-16-34-17-23/h1-7,9,11-12,18,23-24,33H,8,10,13-17H2,(H,28,29)
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| InChIKey |
OBPDWHCNFFHMQJ-UHFFFAOYSA-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