General Information of the Compound
| Compound ID |
CP0431348
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| Compound Name |
CHEMBL471149
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| Formula |
C35H47N5O
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| Molecular Weight |
553.795
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C35H47N5O/c1-26-36-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-35(27-10-4-2-5-11-27)18-21-38(22-19-35)34(41)37-28-12-6-3-7-13-28/h2,4-5,8-11,14-15,28-31H,3,6-7,12-13,16-25H2,1H3,(H,37,41)/t29-,30+,31+
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| InChIKey |
VJGAZDSJPMZIDL-YHTXFFTCSA-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