General Information of the Compound
| Compound ID |
CP0899391
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| Compound Name |
US9096606, 21
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| Structure |
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| Formula |
C32H39ClNO4+
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| Molecular Weight |
537.12
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5
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| InChI |
InChI=1S/C32H38ClNO4/c1-34(17-20-7-8-20)14-13-31-27-21-9-10-25(35)28(27)38-29(31)32(36-2)12-11-30(31,26(34)15-21)16-23(32)19-37-18-22-5-3-4-6-24(22)33/h3-6,9-10,20,23,26,29H,7-8,11-19H2,1-2H3/p+1/t23-,26-,29-,30-,31+,32-,34?/m1/s1
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| InChIKey |
XJMJYCQXHDYCMY-SWNZWMJTSA-O
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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