General Information of the Compound
| Compound ID |
CP0934609
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| Compound Name |
SID131464705
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| Structure |
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| Formula |
C30H31N3O2
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| Molecular Weight |
465.597
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| Canonical SMILES |
O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C30H31N3O2/c34-22-28-29(25-17-15-24(16-18-25)14-13-23-9-3-1-4-10-23)27-21-32(19-7-8-20-33(27)28)30(35)31-26-11-5-2-6-12-26/h1-6,9-12,15-18,27-29,34H,7-8,19-22H2,(H,31,35)/t27-,28+,29-/m1/s1
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| InChIKey |
BNRMNWOQADUHFD-SSBOKUKZSA-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