General Information of the Compound
| Compound ID |
CP0908697
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| Compound Name |
SID131461267
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO
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| InChI |
InChI=1S/C27H26N4O2/c1-30-24-9-8-19(6-7-20-4-2-11-28-16-20)14-23(24)27-22(25(30)18-32)10-13-31(27)26(33)15-21-5-3-12-29-17-21/h2-5,8-9,11-12,14,16-17,22,25,27,32H,10,13,15,18H2,1H3/t22-,25-,27-/m0/s1
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| InChIKey |
XNFJCUQCMGIQNV-LNBJVWSJSA-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